N-[cyclohexyl(phenyl)methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide

C25H31FN2O3S — CID 55690179

IUPACN-[cyclohexyl(phenyl)methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(NC(c1ccccc1)C1CCCCC1)C1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C25H31FN2O3S/c26-22-13-7-8-14-23(22)32(30,31)28-17-15-21(16-18-28)25(29)27-24(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1,3-4,7-10,13-14,20-21,24H,2,5-6,11-12,15-18H2,(H,27,29)
InChIKeyDLCFRRYRAMGUPR-UHFFFAOYSA-N
MW458.60 g/mol
LogP4.66
Rot. Bonds6

About N-[cyclohexyl(phenyl)methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide

N-[cyclohexyl(phenyl)methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 55690179) has the molecular formula C25H31FN2O3S and a molecular weight of 458.60 g/mol. Its IUPAC name is N-[cyclohexyl(phenyl)methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[cyclohexyl(phenyl)methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID55690179
Molecular FormulaC25H31FN2O3S
Molecular Weight458.60 g/mol
Exact Mass458.20
IUPAC NameN-[cyclohexyl(phenyl)methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(NC(c1ccccc1)C1CCCCC1)C1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C25H31FN2O3S/c26-22-13-7-8-14-23(22)32(30,31)28-17-15-21(16-18-28)25(29)27-24(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1,3-4,7-10,13-14,20-21,24H,2,5-6,11-12,15-18H2,(H,27,29)
InChIKeyDLCFRRYRAMGUPR-UHFFFAOYSA-N
XLogP4.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.60
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)sulfonyl-N-(2,2,2-trifluoro-1-phenylethyl)piperidine-4-carboxamide
CID 55794457
N-[(R)-cyclohexyl(phenyl)methyl]cyclobutanecarboxamide
CID 39025533
N-[cyclohexyl(phenyl)methyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 55690040
1-(2,5-difluorophenyl)sulfonyl-N-[(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide
CID 55583452
3-[[1-(2-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-2-methylpropanoic acid
CID 119237158
N-ethyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 40630207
N-(2-aminophenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119422130
1-(2-fluorophenyl)sulfonyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide
CID 119450805
N-(2-cyclopentylsulfanylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 32558972
1-(2-fluorophenyl)sulfonyl-N-[2-(methylamino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119501151
1-(2-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
CID 24640967
1-(2-fluorophenyl)sulfonyl-N-(4-iodophenyl)piperidine-4-carboxamide
CID 24640994

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl(phenyl)methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[cyclohexyl(phenyl)methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide (CID 55690179) is N-[cyclohexyl(phenyl)methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[cyclohexyl(phenyl)methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[cyclohexyl(phenyl)methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide is O=C(NC(c1ccccc1)C1CCCCC1)C1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of N-[cyclohexyl(phenyl)methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is DLCFRRYRAMGUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN2O3S/c26-22-13-7-8-14-23(22)32(30,31)28-17-15-21(16-18-28)25(29)27-24(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1,3-4,7-10,13-14,20-21,24H,2,5-6,11-12,15-18H2,(H,27,29).
What are the key properties of N-[cyclohexyl(phenyl)methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide?
N-[cyclohexyl(phenyl)methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 458.60 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl(phenyl)methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 55690179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).