1-methylsulfonyl-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide

C20H24N2O4S — CID 1082619

IUPAC1-methylsulfonyl-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C20H24N2O4S/c1-27(24,25)22-13-11-17(12-14-22)20(23)21-18-7-9-19(10-8-18)26-15-16-5-3-2-4-6-16/h2-10,17H,11-15H2,1H3,(H,21,23)
InChIKeyQZSWKBCIUCFHPP-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.88
Rot. Bonds6

About 1-methylsulfonyl-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide

1-methylsulfonyl-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide (PubChem CID 1082619) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
PubChem CID1082619
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name1-methylsulfonyl-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C20H24N2O4S/c1-27(24,25)22-13-11-17(12-14-22)20(23)21-18-7-9-19(10-8-18)26-15-16-5-3-2-4-6-16/h2-10,17H,11-15H2,1H3,(H,21,23)
InChIKeyQZSWKBCIUCFHPP-UHFFFAOYSA-N
XLogP2.88
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methylsulfonyl-N-(4-phenylmethoxyphenyl)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

1-(dimethylsulfamoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 41454969
1-(2-methylpropanoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 113008208
N-[4-(4-phenylmethoxyanilino)phenyl]cyclopropanecarboxamide
CID 112988911
1-[(2-chlorophenyl)methyl]-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 45014267
1-(6-methylpyridazin-3-yl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 121119048
4-N-(4-phenylmethoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144415
1-(4-tert-butylbenzoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 1003986
N-(4-phenylmethoxyphenyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 43916267
1-benzyl-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide
CID 43922210
1-methylsulfonyl-N-(4-pyrrol-1-ylphenyl)piperidine-4-carboxamide
CID 110726347
N-(4-carbamoylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 1081285
benzyl 4-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 75365770

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide (CID 1082619) is 1-methylsulfonyl-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1.
What is the InChIKey of 1-methylsulfonyl-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide?
The InChIKey is QZSWKBCIUCFHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-27(24,25)22-13-11-17(12-14-22)20(23)21-18-7-9-19(10-8-18)26-15-16-5-3-2-4-6-16/h2-10,17H,11-15H2,1H3,(H,21,23).
What are the key properties of 1-methylsulfonyl-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide?
1-methylsulfonyl-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 1082619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).