(2S,4S)-2-methyl-N-(1-phenylhexan-3-yl)piperidine-4-carboxamide

C19H30N2O — CID 120635934

IUPAC(2S,4S)-2-methyl-N-(1-phenylhexan-3-yl)piperidine-4-carboxamide
SMILESCCCC(CCc1ccccc1)NC(=O)[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C19H30N2O/c1-3-7-18(11-10-16-8-5-4-6-9-16)21-19(22)17-12-13-20-15(2)14-17/h4-6,8-9,15,17-18,20H,3,7,10-14H2,1-2H3,(H,21,22)/t15-,17-,18?/m0/s1
InChIKeyCLKLPFPTOPTHEC-LUIZSJORSA-N
MW302.46 g/mol
LogP3.29
Rot. Bonds7

About (2S,4S)-2-methyl-N-(1-phenylhexan-3-yl)piperidine-4-carboxamide

(2S,4S)-2-methyl-N-(1-phenylhexan-3-yl)piperidine-4-carboxamide (PubChem CID 120635934) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-(1-phenylhexan-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-(1-phenylhexan-3-yl)piperidine-4-carboxamide
PubChem CID120635934
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name(2S,4S)-2-methyl-N-(1-phenylhexan-3-yl)piperidine-4-carboxamide
SMILESCCCC(CCc1ccccc1)NC(=O)[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C19H30N2O/c1-3-7-18(11-10-16-8-5-4-6-9-16)21-19(22)17-12-13-20-15(2)14-17/h4-6,8-9,15,17-18,20H,3,7,10-14H2,1-2H3,(H,21,22)/t15-,17-,18?/m0/s1
InChIKeyCLKLPFPTOPTHEC-LUIZSJORSA-N
XLogP3.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S,4S)-2-methyl-N-(1-phenylhexan-3-yl)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

N-(1-phenylhexan-3-yl)piperidine-4-carboxamide
CID 119334584
N-(1-phenylhexan-3-yl)pyrrolidine-3-carboxamide
CID 119802857
3-amino-N-(1-phenylhexan-3-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119802836
(2S,4S)-N-hexan-3-yl-2-methylpiperidine-4-carboxamide
CID 120627601
N-(1,5-diphenylpentan-3-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 119813623
(2S,4S)-N-[4-(4-bromophenyl)butan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120625464
(2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide
CID 120616011
N-benzyl-2-methylpiperidine-4-carboxamide
CID 106738530
2-methyl-N-(1-phenylethyl)piperidine-4-carboxamide
CID 106738514
(2S,4S)-N-[2-[benzyl(methyl)amino]propyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120636390
2-methyl-N-(2-methyl-1-phenylpropyl)piperidine-4-carboxamide
CID 106738958
N-(2,2-dimethyl-1-phenylpropyl)-2-methylpiperidine-4-carboxamide
CID 106738996

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-(1-phenylhexan-3-yl)piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-2-methyl-N-(1-phenylhexan-3-yl)piperidine-4-carboxamide (CID 120635934) is (2S,4S)-2-methyl-N-(1-phenylhexan-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-2-methyl-N-(1-phenylhexan-3-yl)piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-2-methyl-N-(1-phenylhexan-3-yl)piperidine-4-carboxamide is CCCC(CCc1ccccc1)NC(=O)[C@H]1CCN[C@@H](C)C1.
What is the InChIKey of (2S,4S)-2-methyl-N-(1-phenylhexan-3-yl)piperidine-4-carboxamide?
The InChIKey is CLKLPFPTOPTHEC-LUIZSJORSA-N. The full InChI is InChI=1S/C19H30N2O/c1-3-7-18(11-10-16-8-5-4-6-9-16)21-19(22)17-12-13-20-15(2)14-17/h4-6,8-9,15,17-18,20H,3,7,10-14H2,1-2H3,(H,21,22)/t15-,17-,18?/m0/s1.
What are the key properties of (2S,4S)-2-methyl-N-(1-phenylhexan-3-yl)piperidine-4-carboxamide?
(2S,4S)-2-methyl-N-(1-phenylhexan-3-yl)piperidine-4-carboxamide has a molecular weight of 302.46 g/mol, XLogP of 3.29, 7 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-(1-phenylhexan-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 120635934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).