3-cyclopentyl-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one

C18H25FN2O3S — CID 1151622

IUPAC3-cyclopentyl-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H25FN2O3S/c19-16-6-8-17(9-7-16)25(23,24)21-13-11-20(12-14-21)18(22)10-5-15-3-1-2-4-15/h6-9,15H,1-5,10-14H2
InChIKeyHPPZFGHXPYEREP-UHFFFAOYSA-N
MW368.47 g/mol
LogP2.63
Rot. Bonds5

About 3-cyclopentyl-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one

3-cyclopentyl-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one (PubChem CID 1151622) has the molecular formula C18H25FN2O3S and a molecular weight of 368.47 g/mol. Its IUPAC name is 3-cyclopentyl-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one
PubChem CID1151622
Molecular FormulaC18H25FN2O3S
Molecular Weight368.47 g/mol
Exact Mass368.16
IUPAC Name3-cyclopentyl-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H25FN2O3S/c19-16-6-8-17(9-7-16)25(23,24)21-13-11-20(12-14-21)18(22)10-5-15-3-1-2-4-15/h6-9,15H,1-5,10-14H2
InChIKeyHPPZFGHXPYEREP-UHFFFAOYSA-N
XLogP2.63
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-cyclopentyl-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one (CID 1151622) is 3-cyclopentyl-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one is O=C(CCC1CCCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 3-cyclopentyl-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one?
The InChIKey is HPPZFGHXPYEREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O3S/c19-16-6-8-17(9-7-16)25(23,24)21-13-11-20(12-14-21)18(22)10-5-15-3-1-2-4-15/h6-9,15H,1-5,10-14H2.
What are the key properties of 3-cyclopentyl-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one?
3-cyclopentyl-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one has a molecular weight of 368.47 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one is sourced from PubChem (CID 1151622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).