1-methylsulfonyl-N-[phenyl(pyrazin-2-yl)methyl]piperidine-4-carboxamide

C18H22N4O3S — CID 126474166

IUPAC1-methylsulfonyl-N-[phenyl(pyrazin-2-yl)methyl]piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NC(c2ccccc2)c2cnccn2)CC1
InChIInChI=1S/C18H22N4O3S/c1-26(24,25)22-11-7-15(8-12-22)18(23)21-17(14-5-3-2-4-6-14)16-13-19-9-10-20-16/h2-6,9-10,13,15,17H,7-8,11-12H2,1H3,(H,21,23)
InChIKeyOEPDDGVSLCQWSJ-UHFFFAOYSA-N
MW374.47 g/mol
LogP1.35
Rot. Bonds5

About 1-methylsulfonyl-N-[phenyl(pyrazin-2-yl)methyl]piperidine-4-carboxamide

1-methylsulfonyl-N-[phenyl(pyrazin-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 126474166) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[phenyl(pyrazin-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-[phenyl(pyrazin-2-yl)methyl]piperidine-4-carboxamide
PubChem CID126474166
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name1-methylsulfonyl-N-[phenyl(pyrazin-2-yl)methyl]piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NC(c2ccccc2)c2cnccn2)CC1
InChIInChI=1S/C18H22N4O3S/c1-26(24,25)22-11-7-15(8-12-22)18(23)21-17(14-5-3-2-4-6-14)16-13-19-9-10-20-16/h2-6,9-10,13,15,17H,7-8,11-12H2,1H3,(H,21,23)
InChIKeyOEPDDGVSLCQWSJ-UHFFFAOYSA-N
XLogP1.35
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methylsulfonyl-N-[phenyl(pyrazin-2-yl)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-methylsulfonyl-N-[phenyl(pyrazin-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-[phenyl(pyrazin-2-yl)methyl]piperidine-4-carboxamide (CID 126474166) is 1-methylsulfonyl-N-[phenyl(pyrazin-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-[phenyl(pyrazin-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-[phenyl(pyrazin-2-yl)methyl]piperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)NC(c2ccccc2)c2cnccn2)CC1.
What is the InChIKey of 1-methylsulfonyl-N-[phenyl(pyrazin-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is OEPDDGVSLCQWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-26(24,25)22-11-7-15(8-12-22)18(23)21-17(14-5-3-2-4-6-14)16-13-19-9-10-20-16/h2-6,9-10,13,15,17H,7-8,11-12H2,1H3,(H,21,23).
What are the key properties of 1-methylsulfonyl-N-[phenyl(pyrazin-2-yl)methyl]piperidine-4-carboxamide?
1-methylsulfonyl-N-[phenyl(pyrazin-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 374.47 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-[phenyl(pyrazin-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 126474166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).