1-(cyclohexylmethyl)-N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-6-oxopiperidine-3-carboxamide

C21H31N3O3 — CID 72883475

IUPAC1-(cyclohexylmethyl)-N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1c[nH]c(CNC(=O)C2CCC(=O)N(CC3CCCCC3)C2)c(C)c1=O
InChIInChI=1S/C21H31N3O3/c1-14-10-22-18(15(2)20(14)26)11-23-21(27)17-8-9-19(25)24(13-17)12-16-6-4-3-5-7-16/h10,16-17H,3-9,11-13H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyUZNBGPZFSBZRNI-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.43
Rot. Bonds5

About 1-(cyclohexylmethyl)-N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-6-oxopiperidine-3-carboxamide

1-(cyclohexylmethyl)-N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 72883475) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID72883475
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name1-(cyclohexylmethyl)-N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1c[nH]c(CNC(=O)C2CCC(=O)N(CC3CCCCC3)C2)c(C)c1=O
InChIInChI=1S/C21H31N3O3/c1-14-10-22-18(15(2)20(14)26)11-23-21(27)17-8-9-19(25)24(13-17)12-16-6-4-3-5-7-16/h10,16-17H,3-9,11-13H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyUZNBGPZFSBZRNI-UHFFFAOYSA-N
XLogP2.43
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(cyclohexylmethyl)-N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-6-oxopiperidine-3-carboxamide with MolForge

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Related Compounds

2-hydroxy-7-methyl-3-[(4-methylpiperazin-1-yl)carbonyl]-7,8-dihydroquinolin-5(6H)-one
CID 52996575
N-({1-[ethyl(methyl)amino]cyclohexyl}methyl)-1,6-dimethyl-4-oxo-1,4-dihydropyridine-3-carboxamide
CID 121512311
N-cyclopropyl-1'-[(4-hydroxy-3,5-dimethyl-2-pyridinyl)methyl]-1,4'-bipiperidine-3-carboxamide
CID 56874661
8-[(3,5-Dimethyl-4-oxo-1,4-dihydro-2-pyridinyl)methyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70759443
N-[(1-cyclohexylpiperidin-3-yl)methyl]-1,6-dimethyl-4-oxo-1,4-dihydropyridine-3-carboxamide
CID 118772120
1-(cyclohexylmethyl)-N-cyclopropyl-5-[(4-isopropyl-1-piperazinyl)carbonyl]-4-oxo-1,4-dihydro-3-pyridinecarboxamide
CID 26317190
1-(cyclohexylmethyl)-5-N-[[(3S)-1-methylpiperidin-3-yl]methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 26325520
1-(cyclohexylmethyl)-5-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 26325524
N-(cyclohexylmethyl)-1-cyclopropyl-5-[(4-isopropyl-1-piperazinyl)carbonyl]-4-oxo-1,4-dihydro-3-pyridinecarboxamide
CID 26398721
3-(4-Methylpiperidine-1-carbonyl)-1,6,7,8-tetrahydroquinoline-2,5-dione
CID 36772912
1-(cyclohexylmethyl)-N-isopropyl-5-[(4-isopropyl-1-piperazinyl)carbonyl]-4-oxo-1,4-dihydro-3-pyridinecarboxamide
CID 42471815
1-(cyclohexylmethyl)-N-isopropyl-N'-[(1-methyl-3-piperidinyl)methyl]-4-oxo-1,4-dihydro-3,5-pyridinedicarboxamide
CID 45222441

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-6-oxopiperidine-3-carboxamide (CID 72883475) is 1-(cyclohexylmethyl)-N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-6-oxopiperidine-3-carboxamide is Cc1c[nH]c(CNC(=O)C2CCC(=O)N(CC3CCCCC3)C2)c(C)c1=O.
What is the InChIKey of 1-(cyclohexylmethyl)-N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is UZNBGPZFSBZRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-14-10-22-18(15(2)20(14)26)11-23-21(27)17-8-9-19(25)24(13-17)12-16-6-4-3-5-7-16/h10,16-17H,3-9,11-13H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of 1-(cyclohexylmethyl)-N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
1-(cyclohexylmethyl)-N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 72883475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).