1-(4-fluorophenyl)sulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-4-carboxamide

C21H25FN2O4S — CID 100652108

IUPAC1-(4-fluorophenyl)sulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-4-carboxamide
SMILESCC(C)Oc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C21H25FN2O4S/c1-15(2)28-19-5-3-4-18(14-19)23-21(25)16-10-12-24(13-11-16)29(26,27)20-8-6-17(22)7-9-20/h3-9,14-16H,10-13H2,1-2H3,(H,23,25)
InChIKeyMIXXFTAHXLSLMO-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.65
Rot. Bonds6

About 1-(4-fluorophenyl)sulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-4-carboxamide

1-(4-fluorophenyl)sulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-4-carboxamide (PubChem CID 100652108) has the molecular formula C21H25FN2O4S and a molecular weight of 420.51 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-4-carboxamide
PubChem CID100652108
Molecular FormulaC21H25FN2O4S
Molecular Weight420.51 g/mol
Exact Mass420.15
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-4-carboxamide
SMILESCC(C)Oc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C21H25FN2O4S/c1-15(2)28-19-5-3-4-18(14-19)23-21(25)16-10-12-24(13-11-16)29(26,27)20-8-6-17(22)7-9-20/h3-9,14-16H,10-13H2,1-2H3,(H,23,25)
InChIKeyMIXXFTAHXLSLMO-UHFFFAOYSA-N
XLogP3.65
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)sulfonyl-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide
CID 8802762
1-(4-fluorophenyl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide
CID 1078408
1-(4-fluorophenyl)sulfonyl-N-[3-(3-propan-2-yloxyphenyl)propyl]piperidine-4-carboxamide
CID 100652484
N-[4-(3-fluorophenoxy)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55907296
N-[4-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 34033203
1-(4-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 1327450
1-(4-fluorophenyl)sulfonyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 133168255
1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide
CID 24687006
N-[3-(difluoromethoxy)phenyl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55779087
N-(4-chloro-3-fluorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55796487
1-(3,4-dimethylphenyl)sulfonyl-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 55748874
(3R)-1-methylsulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 95119279

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-4-carboxamide (CID 100652108) is 1-(4-fluorophenyl)sulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-4-carboxamide is CC(C)Oc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-4-carboxamide?
The InChIKey is MIXXFTAHXLSLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O4S/c1-15(2)28-19-5-3-4-18(14-19)23-21(25)16-10-12-24(13-11-16)29(26,27)20-8-6-17(22)7-9-20/h3-9,14-16H,10-13H2,1-2H3,(H,23,25).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-4-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-4-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 100652108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).