(2S,4S)-N-(3-acetamidophenyl)-2-methylpiperidine-4-carboxamide

C15H21N3O2 — CID 120616198

IUPAC(2S,4S)-N-(3-acetamidophenyl)-2-methylpiperidine-4-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)[C@H]2CCN[C@@H](C)C2)c1
InChIInChI=1S/C15H21N3O2/c1-10-8-12(6-7-16-10)15(20)18-14-5-3-4-13(9-14)17-11(2)19/h3-5,9-10,12,16H,6-8H2,1-2H3,(H,17,19)(H,18,20)/t10-,12-/m0/s1
InChIKeyGPXPZJSGPQITGT-JQWIXIFHSA-N
MW275.35 g/mol
LogP1.97
Rot. Bonds3

About (2S,4S)-N-(3-acetamidophenyl)-2-methylpiperidine-4-carboxamide

(2S,4S)-N-(3-acetamidophenyl)-2-methylpiperidine-4-carboxamide (PubChem CID 120616198) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (2S,4S)-N-(3-acetamidophenyl)-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-(3-acetamidophenyl)-2-methylpiperidine-4-carboxamide
PubChem CID120616198
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(2S,4S)-N-(3-acetamidophenyl)-2-methylpiperidine-4-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)[C@H]2CCN[C@@H](C)C2)c1
InChIInChI=1S/C15H21N3O2/c1-10-8-12(6-7-16-10)15(20)18-14-5-3-4-13(9-14)17-11(2)19/h3-5,9-10,12,16H,6-8H2,1-2H3,(H,17,19)(H,18,20)/t10-,12-/m0/s1
InChIKeyGPXPZJSGPQITGT-JQWIXIFHSA-N
XLogP1.97
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S,4S)-N-(3-acetamidophenyl)-2-methylpiperidine-4-carboxamide 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

(2S,4S)-N-(3-benzamidophenyl)-2-methylpiperidine-4-carboxamide
CID 120620603
(2S,4S)-N-(3-iodophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616575
2-methyl-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide
CID 106738709
(2S,4S)-N-[3-(ethylcarbamoylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120626462
N-(3,4-dichlorophenyl)-2-methylpiperidine-4-carboxamide
CID 106738581
(2S,4S)-2-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 120619627
(2S,4S)-N-(3-acetamido-4-methylphenyl)-2-methylpiperidine-4-carboxamide
CID 120620818
(2S,4S)-N-[3-(difluoromethoxy)phenyl]-2-methylpiperidine-4-carboxamide
CID 120620400
(2S,4S)-N-[3-(cyclopropylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120631994
(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619530
(2S,4S)-N-(3-acetamido-4-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620817
N-(3-acetamidophenyl)-3-methylpyrrolidine-2-carboxamide
CID 102777091

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-(3-acetamidophenyl)-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-(3-acetamidophenyl)-2-methylpiperidine-4-carboxamide (CID 120616198) is (2S,4S)-N-(3-acetamidophenyl)-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-(3-acetamidophenyl)-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-(3-acetamidophenyl)-2-methylpiperidine-4-carboxamide is CC(=O)Nc1cccc(NC(=O)[C@H]2CCN[C@@H](C)C2)c1.
What is the InChIKey of (2S,4S)-N-(3-acetamidophenyl)-2-methylpiperidine-4-carboxamide?
The InChIKey is GPXPZJSGPQITGT-JQWIXIFHSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10-8-12(6-7-16-10)15(20)18-14-5-3-4-13(9-14)17-11(2)19/h3-5,9-10,12,16H,6-8H2,1-2H3,(H,17,19)(H,18,20)/t10-,12-/m0/s1.
What are the key properties of (2S,4S)-N-(3-acetamidophenyl)-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-(3-acetamidophenyl)-2-methylpiperidine-4-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-(3-acetamidophenyl)-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120616198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).