(2S,4S)-2-methyl-6-oxo-N-(3-phenylpropyl)piperidine-4-carboxamide

C16H22N2O2 — CID 97347627

IUPAC(2S,4S)-2-methyl-6-oxo-N-(3-phenylpropyl)piperidine-4-carboxamide
SMILESC[C@H]1C[C@H](C(=O)NCCCc2ccccc2)CC(=O)N1
InChIInChI=1S/C16H22N2O2/c1-12-10-14(11-15(19)18-12)16(20)17-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,17,20)(H,18,19)/t12-,14-/m0/s1
InChIKeyQQVVPDBVHMSFPV-JSGCOSHPSA-N
MW274.36 g/mol
LogP1.65
Rot. Bonds5

About (2S,4S)-2-methyl-6-oxo-N-(3-phenylpropyl)piperidine-4-carboxamide

(2S,4S)-2-methyl-6-oxo-N-(3-phenylpropyl)piperidine-4-carboxamide (PubChem CID 97347627) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (2S,4S)-2-methyl-6-oxo-N-(3-phenylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-2-methyl-6-oxo-N-(3-phenylpropyl)piperidine-4-carboxamide
PubChem CID97347627
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(2S,4S)-2-methyl-6-oxo-N-(3-phenylpropyl)piperidine-4-carboxamide
SMILESC[C@H]1C[C@H](C(=O)NCCCc2ccccc2)CC(=O)N1
InChIInChI=1S/C16H22N2O2/c1-12-10-14(11-15(19)18-12)16(20)17-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,17,20)(H,18,19)/t12-,14-/m0/s1
InChIKeyQQVVPDBVHMSFPV-JSGCOSHPSA-N
XLogP1.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S,4S)-2-methyl-6-oxo-N-(3-phenylpropyl)piperidine-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

cis-(1R,2S)-2-methyl-N-(3-phenylpropyl)cyclopropane-1-carboxamide
CID 94014482
(2S,4S)-2-methyl-N-[2-[3-(3-phenylpropoxy)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 120631933
4-N-tert-butyl-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
CID 109149515
(2S,4S)-N-[3-(4-chlorophenyl)propyl]-2-methylpiperidine-4-carboxamide
CID 120629610
4-fluoro-N-(3-phenylpropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 126622634
1-benzyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 46773938
4-N-(2-methylphenyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
CID 109149525
N-(4-phenylbutyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-benzotriazole-5-carboxamide
CID 73393405
(2S)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 14234527
5-oxo-1-(1-phenylethyl)-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113183406
N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578103
4-N-(2-fluorophenyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
CID 109149531

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-6-oxo-N-(3-phenylpropyl)piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-2-methyl-6-oxo-N-(3-phenylpropyl)piperidine-4-carboxamide (CID 97347627) is (2S,4S)-2-methyl-6-oxo-N-(3-phenylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-2-methyl-6-oxo-N-(3-phenylpropyl)piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-2-methyl-6-oxo-N-(3-phenylpropyl)piperidine-4-carboxamide is C[C@H]1C[C@H](C(=O)NCCCc2ccccc2)CC(=O)N1.
What is the InChIKey of (2S,4S)-2-methyl-6-oxo-N-(3-phenylpropyl)piperidine-4-carboxamide?
The InChIKey is QQVVPDBVHMSFPV-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12-10-14(11-15(19)18-12)16(20)17-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,17,20)(H,18,19)/t12-,14-/m0/s1.
What are the key properties of (2S,4S)-2-methyl-6-oxo-N-(3-phenylpropyl)piperidine-4-carboxamide?
(2S,4S)-2-methyl-6-oxo-N-(3-phenylpropyl)piperidine-4-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-6-oxo-N-(3-phenylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 97347627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).