| CAS Number | 110105-98-1 |
| Catalog Number | AG007VRV(AGN-PC-045HWR) |
| Chemical Name | N-(3-methylpyridin-2-yl)piperidine-4-carboxamide |
| IUPAC Name | N-(3-methylpyridin-2-yl)piperidine-4-carboxamide |
| InChI | InChI=1S/C12H17N3O/c1-9-3-2-6-14-11(9)15-12(16)10-4-7-13-8-5-10/h2-3,6,10,13H,4-5,7-8H2,1H3,(H,14,15,16) |
| InChI Key | KALKIJXYAIIASF-UHFFFAOYSA-N |
| MDL Number | MFCD11128699 |
| Molecular Formula | C12H17N3O |
| Molecular Weight | 219.2829 |
| SMILES | CC1=C(NC(C2CCNCC2)=O)N=CC=C1 |
| Synonyms | N-(3-methylpyridin-2-yl)piperidine-4-carboxamide,
110105-98-1,
4-Piperidinecarboxamide, N-(3-methyl-2-pyridinyl)-,
ACMC-20mcx5,
AC1Q2FSB,
N-(3-methyl-2-pyridinyl)-4-Piperidinecarboxamide,
SCHEMBL14502145,
CTK0D5270,
DTXSID70635045,
KALKIJXYAIIASF-UHFFFAOYSA-N,
ZINC19814060,
AKOS000205814,
MCULE-5206543629,
NE54928,
EN300-44973,
A1-05954,
piperidine-4 carboxylic acid (3-methyl-pyridin-2-yl)-amide,
piperidine-4-carboxylic acid (3-methyl-pyridin-2-yl)-amide,
|
| Complexity | 238 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.288g/mol |
| Monoisotopic Mass | 219.137g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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