(3R)-1-(4-fluorophenyl)sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]piperidine-3-carboxamide

C19H27FN2O3S — CID 9273373

IUPAC(3R)-1-(4-fluorophenyl)sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]piperidine-3-carboxamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C19H27FN2O3S/c1-14-5-2-3-7-18(14)21-19(23)15-6-4-12-22(13-15)26(24,25)17-10-8-16(20)9-11-17/h8-11,14-15,18H,2-7,12-13H2,1H3,(H,21,23)/t14-,15+,18+/m0/s1
InChIKeyUCEWURYEBGZJLZ-HDMKZQKVSA-N
MW382.50 g/mol
LogP2.92
Rot. Bonds4

About (3R)-1-(4-fluorophenyl)sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]piperidine-3-carboxamide

(3R)-1-(4-fluorophenyl)sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]piperidine-3-carboxamide (PubChem CID 9273373) has the molecular formula C19H27FN2O3S and a molecular weight of 382.50 g/mol. Its IUPAC name is (3R)-1-(4-fluorophenyl)sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-fluorophenyl)sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]piperidine-3-carboxamide
PubChem CID9273373
Molecular FormulaC19H27FN2O3S
Molecular Weight382.50 g/mol
Exact Mass382.17
IUPAC Name(3R)-1-(4-fluorophenyl)sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]piperidine-3-carboxamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C19H27FN2O3S/c1-14-5-2-3-7-18(14)21-19(23)15-6-4-12-22(13-15)26(24,25)17-10-8-16(20)9-11-17/h8-11,14-15,18H,2-7,12-13H2,1H3,(H,21,23)/t14-,15+,18+/m0/s1
InChIKeyUCEWURYEBGZJLZ-HDMKZQKVSA-N
XLogP2.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)sulfonyl-N-(3-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 120556459
1-(4-fluorophenyl)sulfonyl-N-(3-methylpiperidin-4-yl)piperidine-3-carboxamide;hydrochloride
CID 120556458
(3S)-N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 9268767
cis-(1R,3S)-3-[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678343
N-[2-(cyclohexanecarbonylamino)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 55805767
N-[(1R,2R)-2-methylcyclohexyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 40563886
1-(4-methylphenyl)sulfonyl-N-(3-methylpiperidin-4-yl)piperidine-3-carboxamide;hydrochloride
CID 120554823
(3S)-1-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-[(1R,2R)-2-methylcyclohexyl]piperidine-3-carboxamide
CID 124770008
1-(1H-imidazol-5-ylsulfonyl)-N-(2-methylcyclohexyl)piperidine-3-carboxamide
CID 20862166
(3R)-N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 40961581
(3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 778314
1-(4-fluorophenyl)sulfonyl-N-[2-(methylamino)ethyl]piperidine-3-carboxamide
CID 119499977

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-fluorophenyl)sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-fluorophenyl)sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]piperidine-3-carboxamide (CID 9273373) is (3R)-1-(4-fluorophenyl)sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-fluorophenyl)sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-fluorophenyl)sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]piperidine-3-carboxamide is C[C@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of (3R)-1-(4-fluorophenyl)sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]piperidine-3-carboxamide?
The InChIKey is UCEWURYEBGZJLZ-HDMKZQKVSA-N. The full InChI is InChI=1S/C19H27FN2O3S/c1-14-5-2-3-7-18(14)21-19(23)15-6-4-12-22(13-15)26(24,25)17-10-8-16(20)9-11-17/h8-11,14-15,18H,2-7,12-13H2,1H3,(H,21,23)/t14-,15+,18+/m0/s1.
What are the key properties of (3R)-1-(4-fluorophenyl)sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]piperidine-3-carboxamide?
(3R)-1-(4-fluorophenyl)sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]piperidine-3-carboxamide has a molecular weight of 382.50 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-fluorophenyl)sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]piperidine-3-carboxamide is sourced from PubChem (CID 9273373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).