N-[(1-benzoylpiperidin-4-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide

C19H21N3O3 — CID 136527096

IUPACN-[(1-benzoylpiperidin-4-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCC1CCN(C(=O)c2ccccc2)CC1)c1ccc[nH]c1=O
InChIInChI=1S/C19H21N3O3/c23-17-16(7-4-10-20-17)18(24)21-13-14-8-11-22(12-9-14)19(25)15-5-2-1-3-6-15/h1-7,10,14H,8-9,11-13H2,(H,20,23)(H,21,24)
InChIKeyXMBUPIVDKWIDKN-UHFFFAOYSA-N
MW339.39 g/mol
LogP1.66
Rot. Bonds4

About N-[(1-benzoylpiperidin-4-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide

N-[(1-benzoylpiperidin-4-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 136527096) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is N-[(1-benzoylpiperidin-4-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-benzoylpiperidin-4-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID136527096
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC NameN-[(1-benzoylpiperidin-4-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCC1CCN(C(=O)c2ccccc2)CC1)c1ccc[nH]c1=O
InChIInChI=1S/C19H21N3O3/c23-17-16(7-4-10-20-17)18(24)21-13-14-8-11-22(12-9-14)19(25)15-5-2-1-3-6-15/h1-7,10,14H,8-9,11-13H2,(H,20,23)(H,21,24)
InChIKeyXMBUPIVDKWIDKN-UHFFFAOYSA-N
XLogP1.66
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]-1H-pyridine-3-carboxamide
CID 46403357
3-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 80551458
2-oxo-N-(pyrrolidin-3-ylmethyl)-1H-pyridine-3-carboxamide
CID 80564171
[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162
N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 122137114
N-[[(3R)-oxan-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 94194267
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2-methylbenzamide
CID 46378988
5-amino-N-[(1-benzoylpyrrolidin-3-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 71767402
[4-[2-(azetidin-3-yl)ethyl]piperidin-1-yl]-phenylmethanone
CID 90953914
3-(1-benzoylpiperidin-4-yl)-N-(cyclohexylmethyl)propanamide
CID 91913388
N-[(1-acetylpiperidin-4-yl)methyl]-2-methylbenzamide
CID 110736135
3-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 115775390

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzoylpiperidin-4-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(1-benzoylpiperidin-4-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide (CID 136527096) is N-[(1-benzoylpiperidin-4-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(1-benzoylpiperidin-4-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(1-benzoylpiperidin-4-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide is O=C(NCC1CCN(C(=O)c2ccccc2)CC1)c1ccc[nH]c1=O.
What is the InChIKey of N-[(1-benzoylpiperidin-4-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is XMBUPIVDKWIDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c23-17-16(7-4-10-20-17)18(24)21-13-14-8-11-22(12-9-14)19(25)15-5-2-1-3-6-15/h1-7,10,14H,8-9,11-13H2,(H,20,23)(H,21,24).
What are the key properties of N-[(1-benzoylpiperidin-4-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
N-[(1-benzoylpiperidin-4-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 339.39 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzoylpiperidin-4-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 136527096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).