1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

C20H24N2O4S — CID 1327541

IUPAC1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C20H24N2O4S/c1-26-18-9-7-16(8-10-18)15-21-20(23)17-11-13-22(14-12-17)27(24,25)19-5-3-2-4-6-19/h2-10,17H,11-15H2,1H3,(H,21,23)
InChIKeyAWNPBOHCVLYUSX-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.41
Rot. Bonds6

About 1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 1327541) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID1327541
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C20H24N2O4S/c1-26-18-9-7-16(8-10-18)15-21-20(23)17-11-13-22(14-12-17)27(24,25)19-5-3-2-4-6-19/h2-10,17H,11-15H2,1H3,(H,21,23)
InChIKeyAWNPBOHCVLYUSX-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]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

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide (CID 1327541) is 1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide is COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is AWNPBOHCVLYUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-26-18-9-7-16(8-10-18)15-21-20(23)17-11-13-22(14-12-17)27(24,25)19-5-3-2-4-6-19/h2-10,17H,11-15H2,1H3,(H,21,23).
What are the key properties of 1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 1327541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).