1-ethylsulfonyl-N-methyl-4-phenyl-N-(pyrazin-2-ylmethyl)piperidine-4-carboxamide

C20H26N4O3S — CID 86969245

IUPAC1-ethylsulfonyl-N-methyl-4-phenyl-N-(pyrazin-2-ylmethyl)piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)N(C)Cc2cnccn2)(c2ccccc2)CC1
InChIInChI=1S/C20H26N4O3S/c1-3-28(26,27)24-13-9-20(10-14-24,17-7-5-4-6-8-17)19(25)23(2)16-18-15-21-11-12-22-18/h4-8,11-12,15H,3,9-10,13-14,16H2,1-2H3
InChIKeyMQEAGQHHJKBLAY-UHFFFAOYSA-N
MW402.52 g/mol
LogP1.82
Rot. Bonds6

About 1-ethylsulfonyl-N-methyl-4-phenyl-N-(pyrazin-2-ylmethyl)piperidine-4-carboxamide

1-ethylsulfonyl-N-methyl-4-phenyl-N-(pyrazin-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 86969245) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-methyl-4-phenyl-N-(pyrazin-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-methyl-4-phenyl-N-(pyrazin-2-ylmethyl)piperidine-4-carboxamide
PubChem CID86969245
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC Name1-ethylsulfonyl-N-methyl-4-phenyl-N-(pyrazin-2-ylmethyl)piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)N(C)Cc2cnccn2)(c2ccccc2)CC1
InChIInChI=1S/C20H26N4O3S/c1-3-28(26,27)24-13-9-20(10-14-24,17-7-5-4-6-8-17)19(25)23(2)16-18-15-21-11-12-22-18/h4-8,11-12,15H,3,9-10,13-14,16H2,1-2H3
InChIKeyMQEAGQHHJKBLAY-UHFFFAOYSA-N
XLogP1.82
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-methyl-4-phenyl-N-(pyrazin-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-methyl-4-phenyl-N-(pyrazin-2-ylmethyl)piperidine-4-carboxamide (CID 86969245) is 1-ethylsulfonyl-N-methyl-4-phenyl-N-(pyrazin-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-methyl-4-phenyl-N-(pyrazin-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-methyl-4-phenyl-N-(pyrazin-2-ylmethyl)piperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)N(C)Cc2cnccn2)(c2ccccc2)CC1.
What is the InChIKey of 1-ethylsulfonyl-N-methyl-4-phenyl-N-(pyrazin-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is MQEAGQHHJKBLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-3-28(26,27)24-13-9-20(10-14-24,17-7-5-4-6-8-17)19(25)23(2)16-18-15-21-11-12-22-18/h4-8,11-12,15H,3,9-10,13-14,16H2,1-2H3.
What are the key properties of 1-ethylsulfonyl-N-methyl-4-phenyl-N-(pyrazin-2-ylmethyl)piperidine-4-carboxamide?
1-ethylsulfonyl-N-methyl-4-phenyl-N-(pyrazin-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 402.52 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-methyl-4-phenyl-N-(pyrazin-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 86969245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).