3-[(3S)-3-ethylpiperidine-1-carbonyl]-1-[(3-methylphenyl)methyl]pyridin-2-one

C21H26N2O2 — CID 52539460

IUPAC3-[(3S)-3-ethylpiperidine-1-carbonyl]-1-[(3-methylphenyl)methyl]pyridin-2-one
SMILESCC[C@H]1CCCN(C(=O)c2cccn(Cc3cccc(C)c3)c2=O)C1
InChIInChI=1S/C21H26N2O2/c1-3-17-9-5-11-22(14-17)20(24)19-10-6-12-23(21(19)25)15-18-8-4-7-16(2)13-18/h4,6-8,10,12-13,17H,3,5,9,11,14-15H2,1-2H3/t17-/m0/s1
InChIKeyACPRJDNBLGFNRZ-KRWDZBQOSA-N
MW338.45 g/mol
LogP3.47
Rot. Bonds4

About 3-[(3S)-3-ethylpiperidine-1-carbonyl]-1-[(3-methylphenyl)methyl]pyridin-2-one

3-[(3S)-3-ethylpiperidine-1-carbonyl]-1-[(3-methylphenyl)methyl]pyridin-2-one (PubChem CID 52539460) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-[(3S)-3-ethylpiperidine-1-carbonyl]-1-[(3-methylphenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name3-[(3S)-3-ethylpiperidine-1-carbonyl]-1-[(3-methylphenyl)methyl]pyridin-2-one
PubChem CID52539460
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-[(3S)-3-ethylpiperidine-1-carbonyl]-1-[(3-methylphenyl)methyl]pyridin-2-one
SMILESCC[C@H]1CCCN(C(=O)c2cccn(Cc3cccc(C)c3)c2=O)C1
InChIInChI=1S/C21H26N2O2/c1-3-17-9-5-11-22(14-17)20(24)19-10-6-12-23(21(19)25)15-18-8-4-7-16(2)13-18/h4,6-8,10,12-13,17H,3,5,9,11,14-15H2,1-2H3/t17-/m0/s1
InChIKeyACPRJDNBLGFNRZ-KRWDZBQOSA-N
XLogP3.47
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[(3S)-3-ethylpiperidine-1-carbonyl]-1-[(3-methylphenyl)methyl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2R)-2-ethylmorpholine-4-carbonyl]-1-[(3-methylphenyl)methyl]pyridin-2-one
CID 95584378
4-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]morpholine-2-carboxylic acid
CID 126786953
potassium 5-hydroxy-1-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]piperidine-3-carboxylate
CID 167838857
3-methyl-1-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119256185
(3-ethylpiperidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 43430151
(3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone
CID 43430135
2-(3-ethylpiperidine-1-carbonyl)benzoic acid
CID 43584267
(3R)-4-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]morpholine-3-carboxylic acid
CID 125151027
N-[(1-ethylsulfonylazetidin-3-yl)methyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 86804608
[3-(aminomethyl)phenyl]-(3-ethylpiperidin-1-yl)methanone
CID 43584058
(3-ethylpiperidin-1-yl)-[2-(methylamino)phenyl]methanone
CID 61377467
N-(2-hydroxyethyl)-N-[(1S,2R)-2-methylcyclopentyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 124882650

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-ethylpiperidine-1-carbonyl]-1-[(3-methylphenyl)methyl]pyridin-2-one?
The IUPAC name of 3-[(3S)-3-ethylpiperidine-1-carbonyl]-1-[(3-methylphenyl)methyl]pyridin-2-one (CID 52539460) is 3-[(3S)-3-ethylpiperidine-1-carbonyl]-1-[(3-methylphenyl)methyl]pyridin-2-one.
What is the SMILES notation for 3-[(3S)-3-ethylpiperidine-1-carbonyl]-1-[(3-methylphenyl)methyl]pyridin-2-one?
The canonical SMILES for 3-[(3S)-3-ethylpiperidine-1-carbonyl]-1-[(3-methylphenyl)methyl]pyridin-2-one is CC[C@H]1CCCN(C(=O)c2cccn(Cc3cccc(C)c3)c2=O)C1.
What is the InChIKey of 3-[(3S)-3-ethylpiperidine-1-carbonyl]-1-[(3-methylphenyl)methyl]pyridin-2-one?
The InChIKey is ACPRJDNBLGFNRZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-3-17-9-5-11-22(14-17)20(24)19-10-6-12-23(21(19)25)15-18-8-4-7-16(2)13-18/h4,6-8,10,12-13,17H,3,5,9,11,14-15H2,1-2H3/t17-/m0/s1.
What are the key properties of 3-[(3S)-3-ethylpiperidine-1-carbonyl]-1-[(3-methylphenyl)methyl]pyridin-2-one?
3-[(3S)-3-ethylpiperidine-1-carbonyl]-1-[(3-methylphenyl)methyl]pyridin-2-one has a molecular weight of 338.45 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-ethylpiperidine-1-carbonyl]-1-[(3-methylphenyl)methyl]pyridin-2-one is sourced from PubChem (CID 52539460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).