N-ethyl-1-methylsulfonyl-N-phenylpiperidine-4-carboxamide

C15H22N2O3S — CID 51320930

IUPACN-ethyl-1-methylsulfonyl-N-phenylpiperidine-4-carboxamide
SMILESCCN(C(=O)C1CCN(S(C)(=O)=O)CC1)c1ccccc1
InChIInChI=1S/C15H22N2O3S/c1-3-17(14-7-5-4-6-8-14)15(18)13-9-11-16(12-10-13)21(2,19)20/h4-8,13H,3,9-12H2,1-2H3
InChIKeyFTSHDJYYEGEJRL-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.71
Rot. Bonds4

About N-ethyl-1-methylsulfonyl-N-phenylpiperidine-4-carboxamide

N-ethyl-1-methylsulfonyl-N-phenylpiperidine-4-carboxamide (PubChem CID 51320930) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-ethyl-1-methylsulfonyl-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-methylsulfonyl-N-phenylpiperidine-4-carboxamide
PubChem CID51320930
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-ethyl-1-methylsulfonyl-N-phenylpiperidine-4-carboxamide
SMILESCCN(C(=O)C1CCN(S(C)(=O)=O)CC1)c1ccccc1
InChIInChI=1S/C15H22N2O3S/c1-3-17(14-7-5-4-6-8-14)15(18)13-9-11-16(12-10-13)21(2,19)20/h4-8,13H,3,9-12H2,1-2H3
InChIKeyFTSHDJYYEGEJRL-UHFFFAOYSA-N
XLogP1.71
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-ethyl-1-methylsulfonyl-N-phenylpiperidine-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-ethyl-1-methylsulfonyl-N-phenylpiperidine-4-carboxamide?
The IUPAC name of N-ethyl-1-methylsulfonyl-N-phenylpiperidine-4-carboxamide (CID 51320930) is N-ethyl-1-methylsulfonyl-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-1-methylsulfonyl-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for N-ethyl-1-methylsulfonyl-N-phenylpiperidine-4-carboxamide is CCN(C(=O)C1CCN(S(C)(=O)=O)CC1)c1ccccc1.
What is the InChIKey of N-ethyl-1-methylsulfonyl-N-phenylpiperidine-4-carboxamide?
The InChIKey is FTSHDJYYEGEJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-3-17(14-7-5-4-6-8-14)15(18)13-9-11-16(12-10-13)21(2,19)20/h4-8,13H,3,9-12H2,1-2H3.
What are the key properties of N-ethyl-1-methylsulfonyl-N-phenylpiperidine-4-carboxamide?
N-ethyl-1-methylsulfonyl-N-phenylpiperidine-4-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methylsulfonyl-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 51320930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).