AG0036WT

658084-64-1 | (2E)-N-[4-(1-Benzoyl-4-piperidinyl)butyl]-3-(3-pyridinyl)-2-propenamide

AG0036WT

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CAS Number	658084-64-1
Catalog Number	AG0036WT(AGN-PC-0TIAFD)
Chemical Name	(2E)-N-[4-(1-Benzoyl-4-piperidinyl)butyl]-3-(3-pyridinyl)-2-propenamide
IUPAC Name	(E)-N-[4-(1-benzoylpiperidin-4-yl)butyl]-3-pyridin-3-ylprop-2-enamide
InChI	InChI=1S/C24H29N3O2/c28-23(12-11-21-8-6-15-25-19-21)26-16-5-4-7-20-13-17-27(18-14-20)24(29)22-9-2-1-3-10-22/h1-3,6,8-12,15,19-20H,4-5,7,13-14,16-18H2,(H,26,28)/b12-11+
InChI Key	KPBNHDGDUADAGP-VAWYXSNFSA-N
MDL Number	MFCD10565943
Molecular Formula	C24H29N3O2
Molecular Weight	391.5060
SMILES	O=C(/C=C/c1cccnc1)NCCCCC1CCN(CC1)C(=O)c1ccccc1
UNII	V71TF6V9M7
Synonyms	APO 866, APO-866, APO866, FK 866, FK-866, FK866 cpd, N-(4-(1-benzoylpiperidin-4-yl)butyl)-3-(pyridin-3-yl)acrylamide, 658084-64-1, Daporinad, FK866, FK-866, APO-866, APO866, APO 866, UNII-V71TF6V9M7, Daporinad [INN], FK 866, (E)-N-(4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL)-3-(PYRIDIN-3-YL)ACRYLAMIDE, V71TF6V9M7, Daporinad (FK866, APO866), FK 866 hydrochloride, FK866 (APO866), (2E)-N-(4-(1-Benzoylpiperidin-4-yl)butyl)-3-(pyridin-3-yl)prop-2-enamide, (2E)-N-[4-(1-Benzoyl-4-piperidinyl)butyl]-3-(3-pyridinyl)-2-propenamide, (2e)-N-{4-[1-(Benzenecarbonyl)piperidin-4-Yl]butyl}-3-(Pyridin-3-Yl)prop-2-Enamide, 2gvj, AC1OCAEU, 4o1b, 4o1d, N-(4-(1-benzoylpiperidin-4-yl)butyl)-3-(pyridin-3-yl)acrylamide, apo866-fk866, FK866 hydrochloride hydrate, CHEMBL566757, Daporinad(FK866,APO866), GTPL7745, BDBM81395, CHEBI:94671, EX-A430, 2g97, KPBNHDGDUADAGP-VAWYXSNFSA-N, BCP01909, ZINC3828115, 2411AH, ABP000267, FD5006, FK866/, MFCD10565943, s2799, AKOS015994576, API0004712, BCP9000687, CCG-208012, DB12731, ES-0047, SB19583, BC251105, QC-11600, RT-012720, W-5446, BRD-K58550667-001-01-2, (E)-N-[4-(1-Benzoyl-piperidin-4-yl)-butyl]-3-pyridin-3-yl-acrylamide, (E)-N-[4-(1-benzoylpiperidin-4-yl)butyl]-3-pyridin-3-ylprop-2-enamide, (E)-N-[4-[1-(benzoyl)piperidin-4-yl]butyl]-3-pyridin-3-ylprop-2-enamide, n-[4-(1-benzoyl-4-piperidinyl)butyl]-3-(3-pyridinyl)-2e-propenamide, (E)-N-[4-[1-(Benzoyl)Piperidin-4-yl]Butyl]-3-Pyridin-3-yl Prop-2-enamide, FK866 cpd, D0H9SX, C24H29N3O2, WK-175, CID6914657, A8631, A11279, C480543, 658084-64-1 (or 201034-75-5), (E)-N-[4-(1-benzoyl-4-piperidyl)butyl]-3-pyridin-3-yl-prop-2-enamide, 201034-75-5, DGB,

Complexity	534
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	391.226g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	391.515g/mol
Monoisotopic Mass	391.226g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	62.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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