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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Related Compounds

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N-((1-(propylsulfonyl)-4-(pyridin-2-yl)piperidin-4-yl)methyl)benzamide
CID 44565248
2-methyl-N-((1-(propylsulfonyl)-4-(pyridin-2-yl)piperidin-4-yl)methyl)benzamide
CID 44565250
N-((4-(4-methylpyridin-2-yl)-1-(propylsulfonyl)piperidin-4-yl)methyl)benzamide
CID 44565251
N-[[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]methyl]-N-(2-methylpropyl)-1-phenylmethanesulfonamide
CID 89659227
N-methyl-6-oxo-1-(2-phenylethyl)-N-(2-pyrazinylmethyl)-3-piperidinecarboxamide
CID 24794010
1-methylsulfonyl-N-[phenyl(pyrazin-2-yl)methyl]piperidine-4-carboxamide
CID 126474166
N-methyl-N-[(2-methylphenyl)-pyrazin-2-ylmethyl]-1-propan-2-ylsulfonylpiperidine-4-carboxamide
CID 172437849
1-(methylsulfonyl)-N-phenethyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 52906751
2-[1-(Propane-1-sulfonyl)piperidin-4-YL]-3-(pyridin-4-YL)-2-azaspiro[3.5]nonan-1-one
CID 124044652
2-(3-{4-[(4-Methylphenyl)sulfonyl]-1-piperazinyl}-3-oxopropyl)pyrazine
CID 29048632
2-[(5-Methylpyrazin-2-yl)methyl]-9-(phenylacetyl)-2,9-diazaspiro[5.5]undecan-3-one
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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).