AG001GLU

1415800-43-9 | N-Phenyl-2,5-bis({[4-(pyrrolidin-1-yl)piperidin-1-yl]carbonyl})aniline

AG001GLU

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CAS Number	1415800-43-9
Catalog Number	AG001GLU(AGN-PC-0WH98K)
Chemical Name	N-Phenyl-2,5-bis({[4-(pyrrolidin-1-yl)piperidin-1-yl]carbonyl})aniline
IUPAC Name	[3-anilino-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
InChI	InChI=1S/C32H43N5O2/c38-31(36-20-12-27(13-21-36)34-16-4-5-17-34)25-10-11-29(30(24-25)33-26-8-2-1-3-9-26)32(39)37-22-14-28(15-23-37)35-18-6-7-19-35/h1-3,8-11,24,27-28,33H,4-7,12-23H2
InChI Key	PQOOIERVZAXHBP-UHFFFAOYSA-N
MDL Number	MFCD22683289
Molecular Formula	C32H43N5O2
Molecular Weight	529.7161
SMILES	O=C(C1=CC=C(C(N2CCC(N3CCCC3)CC2)=O)C=C1NC4=CC=CC=C4)N5CCC(N6CCCC6)CC5
Synonyms	UNC1215, UNC1215, 1415800-43-9, UNC 1215, UNC-1215, (2-(phenylamino)-1,4-phenylene)bis((4-(pyrrolidin-1-yl)piperidin-1-yl)methanone), CHEMBL2426364, 2-Phenylamino-1,4-bis(4-(pyrrolidinyl)piperidinyl)benzamide, 2-Phenylamino-1,4-bis[4-(pyrrolidinyl)-piperidinyl)benzamide], [2-(Phenylamino)benzene-1,4-Diyl]bis{[4-(Pyrrolidin-1-Yl)piperidin-1-Yl]methanone}, nuc1215, MLS006011024, GTPL8232, SCHEMBL19730381, CHEBI:95086, AOB4333, EX-A193, HMS3652P22, BCP07393, KS-00000T6B, 2782AH, BDBM50440614, MFCD22683289, s7088, ZINC83253967, AKOS024458279, CS-1646, SB19337, NCGC00344623-02, NCGC00344623-12, AK175591, AS-16797, BC600397, BP-21087, DA-45154, HY-15649, OR323195, QC-11425, SC-96698, SMR004702819, UNC1215, >=98% (HPLC), FT-0713405, SW220042-1, 2-Phenylamino-1,4-[4-(pyrrolidinyl)piperidinyl)benzamide, N-phenyl-2,5-bis[4-(pyrrolidin-1-yl)piperidine-1-carbonyl]aniline, N-Phenyl-2,5-bis({[4-(pyrrolidin-1-yl)piperidin-1-yl]carbonyl})aniline, Methanone, 1,1'-[2-(phenylamino)-1,4-phenylene]bis[1-[4-(1-pyrrolidinyl)-1-piperidinyl]-, [3-anilino-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone, D0W9RR, C32H43N5O2, ACN-037796, A3901, A12948, UWN,

Complexity	803
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	529.342g/mol
Formal Charge	0
Heavy Atom Count	39
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	529.729g/mol
Monoisotopic Mass	529.342g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	59.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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