(3R)-N-benzyl-3-methyl-1-(2-phenylsulfanylacetyl)piperidine-3-carboxamide

C22H26N2O2S — CID 93071245

IUPAC(3R)-N-benzyl-3-methyl-1-(2-phenylsulfanylacetyl)piperidine-3-carboxamide
SMILESC[C@@]1(C(=O)NCc2ccccc2)CCCN(C(=O)CSc2ccccc2)C1
InChIInChI=1S/C22H26N2O2S/c1-22(21(26)23-15-18-9-4-2-5-10-18)13-8-14-24(17-22)20(25)16-27-19-11-6-3-7-12-19/h2-7,9-12H,8,13-17H2,1H3,(H,23,26)/t22-/m1/s1
InChIKeyANAJWBSGCRKORG-JOCHJYFZSA-N
MW382.53 g/mol
LogP3.72
Rot. Bonds6

About (3R)-N-benzyl-3-methyl-1-(2-phenylsulfanylacetyl)piperidine-3-carboxamide

(3R)-N-benzyl-3-methyl-1-(2-phenylsulfanylacetyl)piperidine-3-carboxamide (PubChem CID 93071245) has the molecular formula C22H26N2O2S and a molecular weight of 382.53 g/mol. Its IUPAC name is (3R)-N-benzyl-3-methyl-1-(2-phenylsulfanylacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-benzyl-3-methyl-1-(2-phenylsulfanylacetyl)piperidine-3-carboxamide
PubChem CID93071245
Molecular FormulaC22H26N2O2S
Molecular Weight382.53 g/mol
Exact Mass382.17
IUPAC Name(3R)-N-benzyl-3-methyl-1-(2-phenylsulfanylacetyl)piperidine-3-carboxamide
SMILESC[C@@]1(C(=O)NCc2ccccc2)CCCN(C(=O)CSc2ccccc2)C1
InChIInChI=1S/C22H26N2O2S/c1-22(21(26)23-15-18-9-4-2-5-10-18)13-8-14-24(17-22)20(25)16-27-19-11-6-3-7-12-19/h2-7,9-12H,8,13-17H2,1H3,(H,23,26)/t22-/m1/s1
InChIKeyANAJWBSGCRKORG-JOCHJYFZSA-N
XLogP3.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-N-benzyl-3-methyl-1-(2-phenylsulfanylacetyl)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-[(3-fluorophenyl)methyl]-3-methyl-1-(2-phenylsulfanylacetyl)piperidine-3-carboxamide
CID 53011180
(3R)-N-[(3-methoxyphenyl)methyl]-3-methyl-1-(2-phenylsulfanylacetyl)piperidine-3-carboxamide
CID 95087458
(3R)-N-benzyl-1-butanoyl-3-methylpiperidine-3-carboxamide
CID 93071246
N-benzyl-1-butanoyl-3-methylpiperidine-3-carboxamide
CID 53011171
1-N,3-N-dibenzyl-3-methylpiperidine-1,3-dicarboxamide
CID 53117404
(3R)-N-benzyl-1-[2-(4-fluorophenyl)acetyl]-3-methylpiperidine-3-carboxamide
CID 95087574
N-benzyl-3-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 53117158
(3S)-N-benzyl-1-(4-bromobenzoyl)-3-methylpiperidine-3-carboxamide
CID 95087595
(3R)-N-benzyl-3-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 95087584
(3S)-3-N-benzyl-1-N-(4-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 95088079
(3R)-3-N-benzyl-1-N-(4-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 95088080
(3S)-3-N-benzyl-1-N-(2-bromophenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 95088063

Frequently Asked Questions

What is the IUPAC name of (3R)-N-benzyl-3-methyl-1-(2-phenylsulfanylacetyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-benzyl-3-methyl-1-(2-phenylsulfanylacetyl)piperidine-3-carboxamide (CID 93071245) is (3R)-N-benzyl-3-methyl-1-(2-phenylsulfanylacetyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-benzyl-3-methyl-1-(2-phenylsulfanylacetyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-benzyl-3-methyl-1-(2-phenylsulfanylacetyl)piperidine-3-carboxamide is C[C@@]1(C(=O)NCc2ccccc2)CCCN(C(=O)CSc2ccccc2)C1.
What is the InChIKey of (3R)-N-benzyl-3-methyl-1-(2-phenylsulfanylacetyl)piperidine-3-carboxamide?
The InChIKey is ANAJWBSGCRKORG-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H26N2O2S/c1-22(21(26)23-15-18-9-4-2-5-10-18)13-8-14-24(17-22)20(25)16-27-19-11-6-3-7-12-19/h2-7,9-12H,8,13-17H2,1H3,(H,23,26)/t22-/m1/s1.
What are the key properties of (3R)-N-benzyl-3-methyl-1-(2-phenylsulfanylacetyl)piperidine-3-carboxamide?
(3R)-N-benzyl-3-methyl-1-(2-phenylsulfanylacetyl)piperidine-3-carboxamide has a molecular weight of 382.53 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-benzyl-3-methyl-1-(2-phenylsulfanylacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 93071245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).