(2S,4S)-2-methyl-N-(3-methyl-1-phenylbutyl)piperidine-4-carboxamide;hydrochloride

C18H29ClN2O — CID 120618230

IUPAC(2S,4S)-2-methyl-N-(3-methyl-1-phenylbutyl)piperidine-4-carboxamide;hydrochloride
SMILESCC(C)CC(NC(=O)[C@H]1CCN[C@@H](C)C1)c1ccccc1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-13(2)11-17(15-7-5-4-6-8-15)20-18(21)16-9-10-19-14(3)12-16;/h4-8,13-14,16-17,19H,9-12H2,1-3H3,(H,20,21);1H/t14-,16-,17?;/m0./s1
InChIKeySALIFAOMBYSHPP-RKHMZATASA-N
MW324.90 g/mol
LogP3.70
Rot. Bonds5

About (2S,4S)-2-methyl-N-(3-methyl-1-phenylbutyl)piperidine-4-carboxamide;hydrochloride

(2S,4S)-2-methyl-N-(3-methyl-1-phenylbutyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120618230) has the molecular formula C18H29ClN2O and a molecular weight of 324.90 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-(3-methyl-1-phenylbutyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-(3-methyl-1-phenylbutyl)piperidine-4-carboxamide;hydrochloride
PubChem CID120618230
Molecular FormulaC18H29ClN2O
Molecular Weight324.90 g/mol
Exact Mass324.20
IUPAC Name(2S,4S)-2-methyl-N-(3-methyl-1-phenylbutyl)piperidine-4-carboxamide;hydrochloride
SMILESCC(C)CC(NC(=O)[C@H]1CCN[C@@H](C)C1)c1ccccc1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-13(2)11-17(15-7-5-4-6-8-15)20-18(21)16-9-10-19-14(3)12-16;/h4-8,13-14,16-17,19H,9-12H2,1-3H3,(H,20,21);1H/t14-,16-,17?;/m0./s1
InChIKeySALIFAOMBYSHPP-RKHMZATASA-N
XLogP3.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S,4S)-2-methyl-N-(3-methyl-1-phenylbutyl)piperidine-4-carboxamide;hydrochloride 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

2-methyl-N-(1-phenylethyl)piperidine-4-carboxamide
CID 106738514
propan-2-yl 3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]-3-phenylpropanoate;hydrochloride
CID 120618939
2-methyl-N-(2-methyl-1-phenylpropyl)piperidine-4-carboxamide
CID 106738958
(2S,4S)-2-methyl-N-[2-(oxolan-3-yl)-1-phenylethyl]piperidine-4-carboxamide
CID 120640059
N-(2,2-dimethyl-1-phenylpropyl)-2-methylpiperidine-4-carboxamide
CID 106738996
3-methyl-N-(3-methyl-1-phenylbutyl)piperidine-2-carboxamide
CID 107067392
(2S)-4-methyl-2-[(2-methylpiperidine-4-carbonyl)amino]pentanoic acid
CID 106739654
(2S,4S)-N-[cyclopentyl(phenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120624090
(2S,4S)-2-methyl-N-[phenyl(pyridin-4-yl)methyl]piperidine-4-carboxamide
CID 120634235
(2S,4S)-N-[(3-chlorophenyl)-phenylmethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120623965
(2S,4S)-N-[(3-chlorophenyl)-phenylmethyl]-2-methylpiperidine-4-carboxamide
CID 120623966
(2S,4S)-N-[1-(4-methoxyphenyl)propyl]-2-methylpiperidine-4-carboxamide
CID 120618239

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-(3-methyl-1-phenylbutyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-2-methyl-N-(3-methyl-1-phenylbutyl)piperidine-4-carboxamide;hydrochloride (CID 120618230) is (2S,4S)-2-methyl-N-(3-methyl-1-phenylbutyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-2-methyl-N-(3-methyl-1-phenylbutyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-2-methyl-N-(3-methyl-1-phenylbutyl)piperidine-4-carboxamide;hydrochloride is CC(C)CC(NC(=O)[C@H]1CCN[C@@H](C)C1)c1ccccc1.Cl.
What is the InChIKey of (2S,4S)-2-methyl-N-(3-methyl-1-phenylbutyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is SALIFAOMBYSHPP-RKHMZATASA-N. The full InChI is InChI=1S/C18H28N2O.ClH/c1-13(2)11-17(15-7-5-4-6-8-15)20-18(21)16-9-10-19-14(3)12-16;/h4-8,13-14,16-17,19H,9-12H2,1-3H3,(H,20,21);1H/t14-,16-,17?;/m0./s1.
What are the key properties of (2S,4S)-2-methyl-N-(3-methyl-1-phenylbutyl)piperidine-4-carboxamide;hydrochloride?
(2S,4S)-2-methyl-N-(3-methyl-1-phenylbutyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 324.90 g/mol, XLogP of 3.70, 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-N-(3-methyl-1-phenylbutyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120618230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).