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

C24H31FN2O4S — CID 100652484

IUPAC1-(4-fluorophenyl)sulfonyl-N-[3-(3-propan-2-yloxyphenyl)propyl]piperidine-4-carboxamide
SMILESCC(C)Oc1cccc(CCCNC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C24H31FN2O4S/c1-18(2)31-22-7-3-5-19(17-22)6-4-14-26-24(28)20-12-15-27(16-13-20)32(29,30)23-10-8-21(25)9-11-23/h3,5,7-11,17-18,20H,4,6,12-16H2,1-2H3,(H,26,28)
InChIKeyXNFYQOVHMWLOOW-UHFFFAOYSA-N
MW462.59 g/mol
LogP3.76
Rot. Bonds9

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

1-(4-fluorophenyl)sulfonyl-N-[3-(3-propan-2-yloxyphenyl)propyl]piperidine-4-carboxamide (PubChem CID 100652484) has the molecular formula C24H31FN2O4S and a molecular weight of 462.59 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-[3-(3-propan-2-yloxyphenyl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-[3-(3-propan-2-yloxyphenyl)propyl]piperidine-4-carboxamide
PubChem CID100652484
Molecular FormulaC24H31FN2O4S
Molecular Weight462.59 g/mol
Exact Mass462.20
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-[3-(3-propan-2-yloxyphenyl)propyl]piperidine-4-carboxamide
SMILESCC(C)Oc1cccc(CCCNC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C24H31FN2O4S/c1-18(2)31-22-7-3-5-19(17-22)6-4-14-26-24(28)20-12-15-27(16-13-20)32(29,30)23-10-8-21(25)9-11-23/h3,5,7-11,17-18,20H,4,6,12-16H2,1-2H3,(H,26,28)
InChIKeyXNFYQOVHMWLOOW-UHFFFAOYSA-N
XLogP3.76
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(4-fluorophenyl)sulfonyl-N-[3-(3-propan-2-yloxyphenyl)propyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-(4-fluorophenyl)sulfonyl-N-[3-(3-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
CID 100670729
N-[3-(4-fluorophenyl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 100652408
1-(benzenesulfonyl)-N-[3-(3-methoxyphenyl)propyl]piperidine-4-carboxamide
CID 100645726
(3S)-1-(4-chlorophenyl)sulfonyl-N-[3-(3-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
CID 100675660
(3S)-1-(4-fluorophenyl)sulfonyl-N-[3-(3-methoxyphenyl)propyl]piperidine-3-carboxamide
CID 100670690
1-(4-fluorophenyl)sulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 100652108
(3S)-1-(4-fluorophenyl)sulfonyl-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
CID 100670759
1-(benzenesulfonyl)-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide
CID 94108023
1-methylsulfonyl-N-[3-(3-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
CID 132657660
1-[(4-fluorophenyl)methylsulfonyl]-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-4-carboxamide
CID 38006975
1-[(4-fluorophenyl)methylsulfonyl]-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide
CID 38006078
1-(4-fluorophenyl)sulfonyl-N-[3-(2-methoxyphenyl)propyl]piperidine-4-carboxamide
CID 100652424

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-[3-(3-propan-2-yloxyphenyl)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-[3-(3-propan-2-yloxyphenyl)propyl]piperidine-4-carboxamide (CID 100652484) is 1-(4-fluorophenyl)sulfonyl-N-[3-(3-propan-2-yloxyphenyl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-[3-(3-propan-2-yloxyphenyl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-[3-(3-propan-2-yloxyphenyl)propyl]piperidine-4-carboxamide is CC(C)Oc1cccc(CCCNC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-[3-(3-propan-2-yloxyphenyl)propyl]piperidine-4-carboxamide?
The InChIKey is XNFYQOVHMWLOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O4S/c1-18(2)31-22-7-3-5-19(17-22)6-4-14-26-24(28)20-12-15-27(16-13-20)32(29,30)23-10-8-21(25)9-11-23/h3,5,7-11,17-18,20H,4,6,12-16H2,1-2H3,(H,26,28).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-[3-(3-propan-2-yloxyphenyl)propyl]piperidine-4-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-[3-(3-propan-2-yloxyphenyl)propyl]piperidine-4-carboxamide has a molecular weight of 462.59 g/mol, XLogP of 3.76, 9 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-(3-propan-2-yloxyphenyl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 100652484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).