(2S,4S)-N-[(4-acetamidophenyl)methyl]-2-methylpiperidine-4-carboxamide

C16H23N3O2 — CID 120619607

IUPAC(2S,4S)-N-[(4-acetamidophenyl)methyl]-2-methylpiperidine-4-carboxamide
SMILESCC(=O)Nc1ccc(CNC(=O)[C@H]2CCN[C@@H](C)C2)cc1
InChIInChI=1S/C16H23N3O2/c1-11-9-14(7-8-17-11)16(21)18-10-13-3-5-15(6-4-13)19-12(2)20/h3-6,11,14,17H,7-10H2,1-2H3,(H,18,21)(H,19,20)/t11-,14-/m0/s1
InChIKeyTUPYIRPIVJUCOX-FZMZJTMJSA-N
MW289.38 g/mol
LogP1.65
Rot. Bonds4

About (2S,4S)-N-[(4-acetamidophenyl)methyl]-2-methylpiperidine-4-carboxamide

(2S,4S)-N-[(4-acetamidophenyl)methyl]-2-methylpiperidine-4-carboxamide (PubChem CID 120619607) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (2S,4S)-N-[(4-acetamidophenyl)methyl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[(4-acetamidophenyl)methyl]-2-methylpiperidine-4-carboxamide
PubChem CID120619607
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(2S,4S)-N-[(4-acetamidophenyl)methyl]-2-methylpiperidine-4-carboxamide
SMILESCC(=O)Nc1ccc(CNC(=O)[C@H]2CCN[C@@H](C)C2)cc1
InChIInChI=1S/C16H23N3O2/c1-11-9-14(7-8-17-11)16(21)18-10-13-3-5-15(6-4-13)19-12(2)20/h3-6,11,14,17H,7-10H2,1-2H3,(H,18,21)(H,19,20)/t11-,14-/m0/s1
InChIKeyTUPYIRPIVJUCOX-FZMZJTMJSA-N
XLogP1.65
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S,4S)-N-[(4-acetamidophenyl)methyl]-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

N-[(4-bromophenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 106738652
(2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide
CID 120616011
N-benzyl-2-methylpiperidine-4-carboxamide
CID 106738530
methyl 4-[[(2-methylpiperidine-4-carbonyl)amino]methyl]benzoate
CID 106739738
2-methyl-N-[(4-nitrophenyl)methyl]piperidine-4-carboxamide
CID 106739170
(2S,4S)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120633174
(2S,4S)-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide
CID 120634706
(2S,4S)-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120619401
(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619530
(2S,4S)-N-(3-acetamidophenyl)-2-methylpiperidine-4-carboxamide
CID 120616198
(2S,4S)-2-methyl-N-[[4-(oxan-4-yloxymethyl)phenyl]methyl]piperidine-4-carboxamide
CID 120639837
(2S,4S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-methylpiperidine-4-carboxamide
CID 120626507

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[(4-acetamidophenyl)methyl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-[(4-acetamidophenyl)methyl]-2-methylpiperidine-4-carboxamide (CID 120619607) is (2S,4S)-N-[(4-acetamidophenyl)methyl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-[(4-acetamidophenyl)methyl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-[(4-acetamidophenyl)methyl]-2-methylpiperidine-4-carboxamide is CC(=O)Nc1ccc(CNC(=O)[C@H]2CCN[C@@H](C)C2)cc1.
What is the InChIKey of (2S,4S)-N-[(4-acetamidophenyl)methyl]-2-methylpiperidine-4-carboxamide?
The InChIKey is TUPYIRPIVJUCOX-FZMZJTMJSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11-9-14(7-8-17-11)16(21)18-10-13-3-5-15(6-4-13)19-12(2)20/h3-6,11,14,17H,7-10H2,1-2H3,(H,18,21)(H,19,20)/t11-,14-/m0/s1.
What are the key properties of (2S,4S)-N-[(4-acetamidophenyl)methyl]-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-[(4-acetamidophenyl)methyl]-2-methylpiperidine-4-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[(4-acetamidophenyl)methyl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120619607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).