4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide

C23H27FN4O4S — CID 2997874

IUPAC4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC(C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)CC1
InChIInChI=1S/C23H27FN4O4S/c24-19-5-4-8-21(17-19)33(31,32)28-15-13-26(14-16-28)22(29)18-9-11-27(12-10-18)23(30)25-20-6-2-1-3-7-20/h1-8,17-18H,9-16H2,(H,25,30)
InChIKeyLOHBIHVWAMZMCB-UHFFFAOYSA-N
MW474.56 g/mol
LogP2.60
Rot. Bonds4

About 4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide

4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide (PubChem CID 2997874) has the molecular formula C23H27FN4O4S and a molecular weight of 474.56 g/mol. Its IUPAC name is 4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
PubChem CID2997874
Molecular FormulaC23H27FN4O4S
Molecular Weight474.56 g/mol
Exact Mass474.17
IUPAC Name4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC(C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)CC1
InChIInChI=1S/C23H27FN4O4S/c24-19-5-4-8-21(17-19)33(31,32)28-15-13-26(14-16-28)22(29)18-9-11-27(12-10-18)23(30)25-20-6-2-1-3-7-20/h1-8,17-18H,9-16H2,(H,25,30)
InChIKeyLOHBIHVWAMZMCB-UHFFFAOYSA-N
XLogP2.60
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide (CID 2997874) is 4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide is O=C(Nc1ccccc1)N1CCC(C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)CC1.
What is the InChIKey of 4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide?
The InChIKey is LOHBIHVWAMZMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O4S/c24-19-5-4-8-21(17-19)33(31,32)28-15-13-26(14-16-28)22(29)18-9-11-27(12-10-18)23(30)25-20-6-2-1-3-7-20/h1-8,17-18H,9-16H2,(H,25,30).
What are the key properties of 4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide?
4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide has a molecular weight of 474.56 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 2997874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).