N-(4-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide

C14H20N2O4S — CID 2988836

IUPACN-(4-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(S(C)(=O)=O)C2)cc1
InChIInChI=1S/C14H20N2O4S/c1-20-13-7-5-12(6-8-13)15-14(17)11-4-3-9-16(10-11)21(2,18)19/h5-8,11H,3-4,9-10H2,1-2H3,(H,15,17)
InChIKeyJAXZRDKBTPHFBW-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.31
Rot. Bonds4

About N-(4-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide

N-(4-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 2988836) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID2988836
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-(4-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(S(C)(=O)=O)C2)cc1
InChIInChI=1S/C14H20N2O4S/c1-20-13-7-5-12(6-8-13)15-14(17)11-4-3-9-16(10-11)21(2,18)19/h5-8,11H,3-4,9-10H2,1-2H3,(H,15,17)
InChIKeyJAXZRDKBTPHFBW-UHFFFAOYSA-N
XLogP1.31
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-methoxyphenyl)-1-methylsulfonylpiperidine-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

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide (CID 2988836) is N-(4-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide is COc1ccc(NC(=O)C2CCCN(S(C)(=O)=O)C2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is JAXZRDKBTPHFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-20-13-7-5-12(6-8-13)15-14(17)11-4-3-9-16(10-11)21(2,18)19/h5-8,11H,3-4,9-10H2,1-2H3,(H,15,17).
What are the key properties of N-(4-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide?
N-(4-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 2988836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).