(2R)-N-cyclohexyl-1-(4-fluorophenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide

C21H30FN3O4S — CID 92705690

IUPAC(2R)-N-cyclohexyl-1-(4-fluorophenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide
SMILESCCCS(=O)(=O)N1CC(=O)N(c2ccc(F)cc2)[C@@](C)(C(=O)NC2CCCCC2)C1
InChIInChI=1S/C21H30FN3O4S/c1-3-13-30(28,29)24-14-19(26)25(18-11-9-16(22)10-12-18)21(2,15-24)20(27)23-17-7-5-4-6-8-17/h9-12,17H,3-8,13-15H2,1-2H3,(H,23,27)/t21-/m1/s1
InChIKeyFUXLSPPANHCRHP-OAQYLSRUSA-N
MW439.55 g/mol
LogP2.42
Rot. Bonds6

About (2R)-N-cyclohexyl-1-(4-fluorophenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide

(2R)-N-cyclohexyl-1-(4-fluorophenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide (PubChem CID 92705690) has the molecular formula C21H30FN3O4S and a molecular weight of 439.55 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-1-(4-fluorophenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-cyclohexyl-1-(4-fluorophenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide
PubChem CID92705690
Molecular FormulaC21H30FN3O4S
Molecular Weight439.55 g/mol
Exact Mass439.19
IUPAC Name(2R)-N-cyclohexyl-1-(4-fluorophenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide
SMILESCCCS(=O)(=O)N1CC(=O)N(c2ccc(F)cc2)[C@@](C)(C(=O)NC2CCCCC2)C1
InChIInChI=1S/C21H30FN3O4S/c1-3-13-30(28,29)24-14-19(26)25(18-11-9-16(22)10-12-18)21(2,15-24)20(27)23-17-7-5-4-6-8-17/h9-12,17H,3-8,13-15H2,1-2H3,(H,23,27)/t21-/m1/s1
InChIKeyFUXLSPPANHCRHP-OAQYLSRUSA-N
XLogP2.42
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.55
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(4-chlorophenyl)-N-cyclohexyl-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide
CID 92705680
(2S)-N-cyclohexyl-1-(4-methoxyphenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide
CID 92742423
1-(4-acetamidophenyl)-N-cyclohexyl-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide
CID 11397430
N-cyclooctyl-1-(4-fluorophenyl)-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide
CID 20909285
N-cycloheptyl-1-(4-fluorophenyl)-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide
CID 20909256
(2R)-N-cyclohexyl-1-(4-fluoro-2-methylphenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide
CID 92705694
N-cycloheptyl-1-(4-ethylphenyl)-4-ethylsulfonyl-2-methyl-6-oxopiperazine-2-carboxamide
CID 46275632
(2S)-N-cyclopentyl-1-(3,4-dimethylphenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide
CID 92742415
(2S)-N-cyclooctyl-4-ethylsulfonyl-1-(3-fluorophenyl)-2-methyl-6-oxopiperazine-2-carboxamide
CID 92689339
N-cycloheptyl-4-ethylsulfonyl-1-(3-fluoro-4-methylphenyl)-2-methyl-6-oxopiperazine-2-carboxamide
CID 20886531
(2R)-N-cycloheptyl-2-methyl-1-(2-methylphenyl)-6-oxo-4-propylsulfonylpiperazine-2-carboxamide
CID 92722137
(2R)-N-cyclooctyl-2-methyl-1-(2-methylphenyl)-6-oxo-4-propylsulfonylpiperazine-2-carboxamide
CID 92689366

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-1-(4-fluorophenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide?
The IUPAC name of (2R)-N-cyclohexyl-1-(4-fluorophenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide (CID 92705690) is (2R)-N-cyclohexyl-1-(4-fluorophenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide.
What is the SMILES notation for (2R)-N-cyclohexyl-1-(4-fluorophenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide?
The canonical SMILES for (2R)-N-cyclohexyl-1-(4-fluorophenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide is CCCS(=O)(=O)N1CC(=O)N(c2ccc(F)cc2)[C@@](C)(C(=O)NC2CCCCC2)C1.
What is the InChIKey of (2R)-N-cyclohexyl-1-(4-fluorophenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide?
The InChIKey is FUXLSPPANHCRHP-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H30FN3O4S/c1-3-13-30(28,29)24-14-19(26)25(18-11-9-16(22)10-12-18)21(2,15-24)20(27)23-17-7-5-4-6-8-17/h9-12,17H,3-8,13-15H2,1-2H3,(H,23,27)/t21-/m1/s1.
What are the key properties of (2R)-N-cyclohexyl-1-(4-fluorophenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide?
(2R)-N-cyclohexyl-1-(4-fluorophenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide has a molecular weight of 439.55 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclohexyl-1-(4-fluorophenyl)-2-methyl-6-oxo-4-propylsulfonylpiperazine-2-carboxamide is sourced from PubChem (CID 92705690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).