N-(4-methylsulfanylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide

C21H24N2O2S — CID 55607476

IUPACN-(4-methylsulfanylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
SMILESCSc1ccc(NC(=O)C2CCCN(C(=O)Cc3ccccc3)C2)cc1
InChIInChI=1S/C21H24N2O2S/c1-26-19-11-9-18(10-12-19)22-21(25)17-8-5-13-23(15-17)20(24)14-16-6-3-2-4-7-16/h2-4,6-7,9-12,17H,5,8,13-15H2,1H3,(H,22,25)
InChIKeyCXUVHIMNNBEWLL-UHFFFAOYSA-N
MW368.50 g/mol
LogP3.83
Rot. Bonds5

About N-(4-methylsulfanylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide

N-(4-methylsulfanylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide (PubChem CID 55607476) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-(4-methylsulfanylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylsulfanylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
PubChem CID55607476
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC NameN-(4-methylsulfanylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
SMILESCSc1ccc(NC(=O)C2CCCN(C(=O)Cc3ccccc3)C2)cc1
InChIInChI=1S/C21H24N2O2S/c1-26-19-11-9-18(10-12-19)22-21(25)17-8-5-13-23(15-17)20(24)14-16-6-3-2-4-7-16/h2-4,6-7,9-12,17H,5,8,13-15H2,1H3,(H,22,25)
InChIKeyCXUVHIMNNBEWLL-UHFFFAOYSA-N
XLogP3.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-methylsulfanylphenyl)-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

1-(2-phenylacetyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 55604563
N-(3-bromo-4-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55608650
methyl 2-[[4-[[1-(2-phenylacetyl)piperidine-3-carbonyl]amino]benzoyl]amino]acetate
CID 55607181
(3S)-1-(2-phenylacetyl)-N-pyridin-3-ylpiperidine-3-carboxamide
CID 51937770
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 46481378
(3S)-1-N,1-N-dimethyl-3-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]piperidine-1,3-dicarboxamide
CID 51956223
1-(2-phenylacetyl)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 55605706
(3S)-N-(2,5-dimethylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 51937253
(3S)-1-(2-phenylacetyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94098690
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55605664
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 86843484
(2R)-4-methyl-2-[[1-(2-phenylacetyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 119363661

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide?
The IUPAC name of N-(4-methylsulfanylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide (CID 55607476) is N-(4-methylsulfanylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(4-methylsulfanylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide?
The canonical SMILES for N-(4-methylsulfanylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide is CSc1ccc(NC(=O)C2CCCN(C(=O)Cc3ccccc3)C2)cc1.
What is the InChIKey of N-(4-methylsulfanylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide?
The InChIKey is CXUVHIMNNBEWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-26-19-11-9-18(10-12-19)22-21(25)17-8-5-13-23(15-17)20(24)14-16-6-3-2-4-7-16/h2-4,6-7,9-12,17H,5,8,13-15H2,1H3,(H,22,25).
What are the key properties of N-(4-methylsulfanylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide?
N-(4-methylsulfanylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide has a molecular weight of 368.50 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 55607476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).