1-(4-fluorophenyl)sulfonyl-4-methylsulfonyl-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide

C17H23FN4O6S2 — CID 78522962

IUPAC1-(4-fluorophenyl)sulfonyl-4-methylsulfonyl-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide
SMILESCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)C(C(=O)NC2CCCNC2=O)C1
InChIInChI=1S/C17H23FN4O6S2/c1-29(25,26)21-9-10-22(30(27,28)13-6-4-12(18)5-7-13)15(11-21)17(24)20-14-3-2-8-19-16(14)23/h4-7,14-15H,2-3,8-11H2,1H3,(H,19,23)(H,20,24)
InChIKeyQAZOLWAUGAPSGT-UHFFFAOYSA-N
MW462.53 g/mol
LogP-1.14
Rot. Bonds5

About 1-(4-fluorophenyl)sulfonyl-4-methylsulfonyl-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide

1-(4-fluorophenyl)sulfonyl-4-methylsulfonyl-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide (PubChem CID 78522962) has the molecular formula C17H23FN4O6S2 and a molecular weight of 462.53 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-4-methylsulfonyl-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-4-methylsulfonyl-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide
PubChem CID78522962
Molecular FormulaC17H23FN4O6S2
Molecular Weight462.53 g/mol
Exact Mass462.10
IUPAC Name1-(4-fluorophenyl)sulfonyl-4-methylsulfonyl-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide
SMILESCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)C(C(=O)NC2CCCNC2=O)C1
InChIInChI=1S/C17H23FN4O6S2/c1-29(25,26)21-9-10-22(30(27,28)13-6-4-12(18)5-7-13)15(11-21)17(24)20-14-3-2-8-19-16(14)23/h4-7,14-15H,2-3,8-11H2,1H3,(H,19,23)(H,20,24)
InChIKeyQAZOLWAUGAPSGT-UHFFFAOYSA-N
XLogP-1.14
TPSA132.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-(4-fluorophenyl)sulfonyl-4-methylsulfonyl-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 162810420
1-(4-fluorophenyl)sulfonyl-4-(morpholine-4-carbonyl)-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide
CID 73139128
(3R)-1-N-(4-acetylphenyl)-4-(4-fluorophenyl)sulfonyl-3-N-[(3S)-2-oxopiperidin-3-yl]piperazine-1,3-dicarboxamide
CID 7674055
(2R)-1-N-cyclohexyl-4-(4-fluorophenyl)sulfonyl-2-N-[(3R)-2-oxopiperidin-3-yl]piperazine-1,2-dicarboxamide
CID 162810031
(2S)-1-(3-fluorobenzoyl)-4-(4-fluorophenyl)sulfonyl-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 11912348
(2R)-1-(4-methoxybenzoyl)-4-methylsulfonyl-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 11912362
1-[4-(dimethylamino)benzoyl]-4-methylsulfonyl-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide
CID 162812005
(2S)-4-(1-methylpyrrole-2-carbonyl)-1-methylsulfonyl-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 7682019
(3S)-1-N-(4-acetylphenyl)-4-methylsulfonyl-3-N-[(3R)-2-oxopiperidin-3-yl]piperazine-1,3-dicarboxamide
CID 163173679
(2S)-N-cyclopentyl-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865510
N-(2-oxopiperidin-3-yl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 49389470
1-(4-fluorophenyl)sulfonyl-N-[(1S,3R)-5-hydroxy-2-adamantyl]pyrrolidine-2-carboxamide
CID 16730452

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-methylsulfonyl-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-methylsulfonyl-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide (CID 78522962) is 1-(4-fluorophenyl)sulfonyl-4-methylsulfonyl-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-4-methylsulfonyl-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-4-methylsulfonyl-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide is CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)C(C(=O)NC2CCCNC2=O)C1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-4-methylsulfonyl-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide?
The InChIKey is QAZOLWAUGAPSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O6S2/c1-29(25,26)21-9-10-22(30(27,28)13-6-4-12(18)5-7-13)15(11-21)17(24)20-14-3-2-8-19-16(14)23/h4-7,14-15H,2-3,8-11H2,1H3,(H,19,23)(H,20,24).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-4-methylsulfonyl-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide?
1-(4-fluorophenyl)sulfonyl-4-methylsulfonyl-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide has a molecular weight of 462.53 g/mol, XLogP of -1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-4-methylsulfonyl-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide is sourced from PubChem (CID 78522962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).