(3S)-N-[(1S)-1-naphthalen-2-ylethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide

C26H28N2O2 — CID 95352112

IUPAC(3S)-N-[(1S)-1-naphthalen-2-ylethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
SMILESC[C@H](NC(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccc2ccccc2c1
InChIInChI=1S/C26H28N2O2/c1-19(22-14-13-21-10-5-6-11-23(21)17-22)27-26(30)24-12-7-15-28(18-24)25(29)16-20-8-3-2-4-9-20/h2-6,8-11,13-14,17,19,24H,7,12,15-16,18H2,1H3,(H,27,30)/t19-,24-/m0/s1
InChIKeyNOIYNPZQMJBVBX-CYFREDJKSA-N
MW400.52 g/mol
LogP4.50
Rot. Bonds5

About (3S)-N-[(1S)-1-naphthalen-2-ylethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide

(3S)-N-[(1S)-1-naphthalen-2-ylethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide (PubChem CID 95352112) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is (3S)-N-[(1S)-1-naphthalen-2-ylethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(1S)-1-naphthalen-2-ylethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
PubChem CID95352112
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name(3S)-N-[(1S)-1-naphthalen-2-ylethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
SMILESC[C@H](NC(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccc2ccccc2c1
InChIInChI=1S/C26H28N2O2/c1-19(22-14-13-21-10-5-6-11-23(21)17-22)27-26(30)24-12-7-15-28(18-24)25(29)16-20-8-3-2-4-9-20/h2-6,8-11,13-14,17,19,24H,7,12,15-16,18H2,1H3,(H,27,30)/t19-,24-/m0/s1
InChIKeyNOIYNPZQMJBVBX-CYFREDJKSA-N
XLogP4.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-N-[(1S)-1-naphthalen-2-ylethyl]-1-(2-phenylacetyl)piperidine-3-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-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55637812
1-(2-phenylacetyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 55604563
(2R)-4-methyl-2-[[1-(2-phenylacetyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 119363661
1-(2-phenylacetyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 113004094
N-(2-amino-1-naphthalen-2-ylethyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride
CID 120567780
(3R)-1-naphthalen-2-ylsulfonyl-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 40591179
(3S)-1-naphthalen-2-ylsulfonyl-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 40591181
1-[2-(4-fluorophenyl)acetyl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]piperidine-3-carboxamide
CID 55741772
3-N-(2-amino-1-naphthalen-2-ylethyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 120568002
1-(2,2-dimethylpropanoyl)-N-(1-phenylethyl)piperidine-3-carboxamide
CID 47984430
(3S)-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 51966873
1-[2-(4-fluorophenyl)acetyl]-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]piperidine-3-carboxamide
CID 55748663

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1S)-1-naphthalen-2-ylethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(1S)-1-naphthalen-2-ylethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide (CID 95352112) is (3S)-N-[(1S)-1-naphthalen-2-ylethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(1S)-1-naphthalen-2-ylethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(1S)-1-naphthalen-2-ylethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide is C[C@H](NC(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccc2ccccc2c1.
What is the InChIKey of (3S)-N-[(1S)-1-naphthalen-2-ylethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide?
The InChIKey is NOIYNPZQMJBVBX-CYFREDJKSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-19(22-14-13-21-10-5-6-11-23(21)17-22)27-26(30)24-12-7-15-28(18-24)25(29)16-20-8-3-2-4-9-20/h2-6,8-11,13-14,17,19,24H,7,12,15-16,18H2,1H3,(H,27,30)/t19-,24-/m0/s1.
What are the key properties of (3S)-N-[(1S)-1-naphthalen-2-ylethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide?
(3S)-N-[(1S)-1-naphthalen-2-ylethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide has a molecular weight of 400.52 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1S)-1-naphthalen-2-ylethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 95352112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).