cyclohexyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate

C18H24FNO4S — CID 18226686

IUPACcyclohexyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate
SMILESO=C(OC1CCCCC1)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C18H24FNO4S/c19-15-8-10-17(11-9-15)25(22,23)20-12-4-5-14(13-20)18(21)24-16-6-2-1-3-7-16/h8-11,14,16H,1-7,12-13H2
InChIKeyGPWSSWVUTFHNRR-UHFFFAOYSA-N
MW369.46 g/mol
LogP3.10
Rot. Bonds4

About cyclohexyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate

cyclohexyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate (PubChem CID 18226686) has the molecular formula C18H24FNO4S and a molecular weight of 369.46 g/mol. Its IUPAC name is cyclohexyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate.

Molecular Properties

Compound Namecyclohexyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate
PubChem CID18226686
Molecular FormulaC18H24FNO4S
Molecular Weight369.46 g/mol
Exact Mass369.14
IUPAC Namecyclohexyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate
SMILESO=C(OC1CCCCC1)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C18H24FNO4S/c19-15-8-10-17(11-9-15)25(22,23)20-12-4-5-14(13-20)18(21)24-16-6-2-1-3-7-16/h8-11,14,16H,1-7,12-13H2
InChIKeyGPWSSWVUTFHNRR-UHFFFAOYSA-N
XLogP3.10
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 778314
(3S)-N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 9268767
[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 3236130
N-[2-(cyclohexanecarbonylamino)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 55805767
[1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 55406673
methyl 1-[(3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxylate
CID 40947352
cyclohexyl-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 31667720
[2-(4-chlorophenyl)-2-oxoethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate
CID 55427695
[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119400137
cis-(1R,3S)-3-[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678343
(3R)-1-(4-fluorophenyl)sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]piperidine-3-carboxamide
CID 9273373
(3S)-N-(1-adamantyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 27650304

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate?
The IUPAC name of cyclohexyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate (CID 18226686) is cyclohexyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate.
What is the SMILES notation for cyclohexyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate?
The canonical SMILES for cyclohexyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate is O=C(OC1CCCCC1)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of cyclohexyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate?
The InChIKey is GPWSSWVUTFHNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO4S/c19-15-8-10-17(11-9-15)25(22,23)20-12-4-5-14(13-20)18(21)24-16-6-2-1-3-7-16/h8-11,14,16H,1-7,12-13H2.
What are the key properties of cyclohexyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate?
cyclohexyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate has a molecular weight of 369.46 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate is sourced from PubChem (CID 18226686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).