N-cyclohexyl-1-[3-(4-fluorophenyl)sulfonylpropyl]piperidine-4-carboxamide

C21H31FN2O3S — CID 51127471

IUPACN-cyclohexyl-1-[3-(4-fluorophenyl)sulfonylpropyl]piperidine-4-carboxamide
SMILESO=C(NC1CCCCC1)C1CCN(CCCS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H31FN2O3S/c22-18-7-9-20(10-8-18)28(26,27)16-4-13-24-14-11-17(12-15-24)21(25)23-19-5-2-1-3-6-19/h7-10,17,19H,1-6,11-16H2,(H,23,25)
InChIKeyWOKKHCFCCFKOPA-UHFFFAOYSA-N
MW410.56 g/mol
LogP3.15
Rot. Bonds7

About N-cyclohexyl-1-[3-(4-fluorophenyl)sulfonylpropyl]piperidine-4-carboxamide

N-cyclohexyl-1-[3-(4-fluorophenyl)sulfonylpropyl]piperidine-4-carboxamide (PubChem CID 51127471) has the molecular formula C21H31FN2O3S and a molecular weight of 410.56 g/mol. Its IUPAC name is N-cyclohexyl-1-[3-(4-fluorophenyl)sulfonylpropyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-[3-(4-fluorophenyl)sulfonylpropyl]piperidine-4-carboxamide
PubChem CID51127471
Molecular FormulaC21H31FN2O3S
Molecular Weight410.56 g/mol
Exact Mass410.20
IUPAC NameN-cyclohexyl-1-[3-(4-fluorophenyl)sulfonylpropyl]piperidine-4-carboxamide
SMILESO=C(NC1CCCCC1)C1CCN(CCCS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H31FN2O3S/c22-18-7-9-20(10-8-18)28(26,27)16-4-13-24-14-11-17(12-15-24)21(25)23-19-5-2-1-3-6-19/h7-10,17,19H,1-6,11-16H2,(H,23,25)
InChIKeyWOKKHCFCCFKOPA-UHFFFAOYSA-N
XLogP3.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 9268767
(2S)-N-cyclopentyl-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865510
1-[3-(cyclopentylamino)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 51124193
N-(1-benzylpiperidin-4-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 27673196
N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]cyclohexanecarboxamide
CID 51096411
(3R)-1-(4-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxamide
CID 92633582
1-(2-cyanoethyl)-N-cyclohexylpiperidine-4-carboxamide
CID 47464889
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide
CID 55960055
N-cycloheptyl-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 30137317
N-cyclohexyl-1-(2-piperidin-4-ylethyl)piperidine-4-carboxamide
CID 67801916
1-[(2-chloro-6-fluorophenyl)methyl]-N-cyclooctylpiperidine-4-carboxamide
CID 45015159
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[3-(4-fluorophenyl)sulfonylpropyl]piperidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-1-[3-(4-fluorophenyl)sulfonylpropyl]piperidine-4-carboxamide (CID 51127471) is N-cyclohexyl-1-[3-(4-fluorophenyl)sulfonylpropyl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-[3-(4-fluorophenyl)sulfonylpropyl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-1-[3-(4-fluorophenyl)sulfonylpropyl]piperidine-4-carboxamide is O=C(NC1CCCCC1)C1CCN(CCCS(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-cyclohexyl-1-[3-(4-fluorophenyl)sulfonylpropyl]piperidine-4-carboxamide?
The InChIKey is WOKKHCFCCFKOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31FN2O3S/c22-18-7-9-20(10-8-18)28(26,27)16-4-13-24-14-11-17(12-15-24)21(25)23-19-5-2-1-3-6-19/h7-10,17,19H,1-6,11-16H2,(H,23,25).
What are the key properties of N-cyclohexyl-1-[3-(4-fluorophenyl)sulfonylpropyl]piperidine-4-carboxamide?
N-cyclohexyl-1-[3-(4-fluorophenyl)sulfonylpropyl]piperidine-4-carboxamide has a molecular weight of 410.56 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[3-(4-fluorophenyl)sulfonylpropyl]piperidine-4-carboxamide is sourced from PubChem (CID 51127471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).