[4-[2-[4-(3-fluorophenyl)piperazin-1-yl]ethyl]cyclohexyl] cyclopentene-1-carboxylate

C24H33FN2O2 — CID 91127561

IUPAC[4-[2-[4-(3-fluorophenyl)piperazin-1-yl]ethyl]cyclohexyl] cyclopentene-1-carboxylate
SMILESO=C(OC1CCC(CCN2CCN(c3cccc(F)c3)CC2)CC1)C1=CCCC1
InChIInChI=1S/C24H33FN2O2/c25-21-6-3-7-22(18-21)27-16-14-26(15-17-27)13-12-19-8-10-23(11-9-19)29-24(28)20-4-1-2-5-20/h3-4,6-7,18-19,23H,1-2,5,8-17H2
InChIKeyCEACXKNTCOGLDE-UHFFFAOYSA-N
MW400.54 g/mol
LogP4.55
Rot. Bonds6

About [4-[2-[4-(3-fluorophenyl)piperazin-1-yl]ethyl]cyclohexyl] cyclopentene-1-carboxylate

[4-[2-[4-(3-fluorophenyl)piperazin-1-yl]ethyl]cyclohexyl] cyclopentene-1-carboxylate (PubChem CID 91127561) has the molecular formula C24H33FN2O2 and a molecular weight of 400.54 g/mol. Its IUPAC name is [4-[2-[4-(3-fluorophenyl)piperazin-1-yl]ethyl]cyclohexyl] cyclopentene-1-carboxylate.

Molecular Properties

Compound Name[4-[2-[4-(3-fluorophenyl)piperazin-1-yl]ethyl]cyclohexyl] cyclopentene-1-carboxylate
PubChem CID91127561
Molecular FormulaC24H33FN2O2
Molecular Weight400.54 g/mol
Exact Mass400.25
IUPAC Name[4-[2-[4-(3-fluorophenyl)piperazin-1-yl]ethyl]cyclohexyl] cyclopentene-1-carboxylate
SMILESO=C(OC1CCC(CCN2CCN(c3cccc(F)c3)CC2)CC1)C1=CCCC1
InChIInChI=1S/C24H33FN2O2/c25-21-6-3-7-22(18-21)27-16-14-26(15-17-27)13-12-19-8-10-23(11-9-19)29-24(28)20-4-1-2-5-20/h3-4,6-7,18-19,23H,1-2,5,8-17H2
InChIKeyCEACXKNTCOGLDE-UHFFFAOYSA-N
XLogP4.55
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[2-[4-(3-fluorophenyl)piperazin-1-yl]ethyl]cyclohexyl] cyclopentene-1-carboxylate 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 [4-[2-[4-(3-fluorophenyl)piperazin-1-yl]ethyl]cyclohexyl] cyclopentene-1-carboxylate?
The IUPAC name of [4-[2-[4-(3-fluorophenyl)piperazin-1-yl]ethyl]cyclohexyl] cyclopentene-1-carboxylate (CID 91127561) is [4-[2-[4-(3-fluorophenyl)piperazin-1-yl]ethyl]cyclohexyl] cyclopentene-1-carboxylate.
What is the SMILES notation for [4-[2-[4-(3-fluorophenyl)piperazin-1-yl]ethyl]cyclohexyl] cyclopentene-1-carboxylate?
The canonical SMILES for [4-[2-[4-(3-fluorophenyl)piperazin-1-yl]ethyl]cyclohexyl] cyclopentene-1-carboxylate is O=C(OC1CCC(CCN2CCN(c3cccc(F)c3)CC2)CC1)C1=CCCC1.
What is the InChIKey of [4-[2-[4-(3-fluorophenyl)piperazin-1-yl]ethyl]cyclohexyl] cyclopentene-1-carboxylate?
The InChIKey is CEACXKNTCOGLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33FN2O2/c25-21-6-3-7-22(18-21)27-16-14-26(15-17-27)13-12-19-8-10-23(11-9-19)29-24(28)20-4-1-2-5-20/h3-4,6-7,18-19,23H,1-2,5,8-17H2.
What are the key properties of [4-[2-[4-(3-fluorophenyl)piperazin-1-yl]ethyl]cyclohexyl] cyclopentene-1-carboxylate?
[4-[2-[4-(3-fluorophenyl)piperazin-1-yl]ethyl]cyclohexyl] cyclopentene-1-carboxylate has a molecular weight of 400.54 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[4-(3-fluorophenyl)piperazin-1-yl]ethyl]cyclohexyl] cyclopentene-1-carboxylate is sourced from PubChem (CID 91127561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).