1-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide

C22H29N3O2 — CID 91831653

IUPAC1-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESCc1c[nH]c(CN2CCC(C(=O)NCCc3ccccc3)CC2)c(C)c1=O
InChIInChI=1S/C22H29N3O2/c1-16-14-24-20(17(2)21(16)26)15-25-12-9-19(10-13-25)22(27)23-11-8-18-6-4-3-5-7-18/h3-7,14,19H,8-13,15H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyKEBNCHOASNJRPG-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.56
Rot. Bonds6

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

1-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide (PubChem CID 91831653) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
PubChem CID91831653
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name1-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESCc1c[nH]c(CN2CCC(C(=O)NCCc3ccccc3)CC2)c(C)c1=O
InChIInChI=1S/C22H29N3O2/c1-16-14-24-20(17(2)21(16)26)15-25-12-9-19(10-13-25)22(27)23-11-8-18-6-4-3-5-7-18/h3-7,14,19H,8-13,15H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyKEBNCHOASNJRPG-UHFFFAOYSA-N
XLogP2.56
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

2-[[4-[(1S)-1-hydroxy-3-phenylpropyl]piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one
CID 164642023
1-benzyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 46773938
1-[(3-methoxyphenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 1343442
1-[2-(4-methylphenyl)-2-oxoethyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 11810626
1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 16910175
1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 29028022
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 2903396
1-(3,3-diphenylpropyl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 25223132
1-benzyl-N-pentylpiperidine-4-carboxamide
CID 45011479
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 38139524
1-[1-(3-hydroxybutyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 45209776
N-(3-methoxypropyl)-1-[2-oxo-2-(2-phenylethylamino)ethyl]piperidine-4-carboxamide
CID 55909398

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide (CID 91831653) is 1-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide is Cc1c[nH]c(CN2CCC(C(=O)NCCc3ccccc3)CC2)c(C)c1=O.
What is the InChIKey of 1-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide?
The InChIKey is KEBNCHOASNJRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-16-14-24-20(17(2)21(16)26)15-25-12-9-19(10-13-25)22(27)23-11-8-18-6-4-3-5-7-18/h3-7,14,19H,8-13,15H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of 1-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide?
1-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 91831653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).