N-benzyl-1-methylsulfonylpiperidine-4-carboxamide

C14H20N2O3S — CID 774756

IUPACN-benzyl-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C14H20N2O3S/c1-20(18,19)16-9-7-13(8-10-16)14(17)15-11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,15,17)
InChIKeyJHOFQNBZRLPFDG-UHFFFAOYSA-N
MW296.39 g/mol
LogP0.97
Rot. Bonds4

About N-benzyl-1-methylsulfonylpiperidine-4-carboxamide

N-benzyl-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 774756) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-benzyl-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID774756
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-benzyl-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C14H20N2O3S/c1-20(18,19)16-9-7-13(8-10-16)14(17)15-11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,15,17)
InChIKeyJHOFQNBZRLPFDG-UHFFFAOYSA-N
XLogP0.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-1-methylsulfonylpiperidine-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 N-benzyl-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-methylsulfonylpiperidine-4-carboxamide (CID 774756) is N-benzyl-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-methylsulfonylpiperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)NCc2ccccc2)CC1.
What is the InChIKey of N-benzyl-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is JHOFQNBZRLPFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-20(18,19)16-9-7-13(8-10-16)14(17)15-11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,15,17).
What are the key properties of N-benzyl-1-methylsulfonylpiperidine-4-carboxamide?
N-benzyl-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 774756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).