[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C27H34FN3O2 — CID 172785381

IUPAC[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(OCCCN2CC3CCCC3C2)cc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C27H34FN3O2/c28-25-7-1-2-8-26(25)30-14-16-31(17-15-30)27(32)21-9-11-24(12-10-21)33-18-4-13-29-19-22-5-3-6-23(22)20-29/h1-2,7-12,22-23H,3-6,13-20H2
InChIKeyOUXMAELGUVNEPZ-UHFFFAOYSA-N
MW451.59 g/mol
LogP4.29
Rot. Bonds7

About [4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone

[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 172785381) has the molecular formula C27H34FN3O2 and a molecular weight of 451.59 g/mol. Its IUPAC name is [4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID172785381
Molecular FormulaC27H34FN3O2
Molecular Weight451.59 g/mol
Exact Mass451.26
IUPAC Name[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(OCCCN2CC3CCCC3C2)cc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C27H34FN3O2/c28-25-7-1-2-8-26(25)30-14-16-31(17-15-30)27(32)21-9-11-24(12-10-21)33-18-4-13-29-19-22-5-3-6-23(22)20-29/h1-2,7-12,22-23H,3-6,13-20H2
InChIKeyOUXMAELGUVNEPZ-UHFFFAOYSA-N
XLogP4.29
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.59
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone 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

[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 172740266
[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone
CID 172723327
[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]-(azepan-1-yl)methanone
CID 69067342
[4-(2-fluorophenyl)piperazin-1-yl]-[4-(2-methylpropoxy)phenyl]methanone
CID 2995080
[4-[2-fluoro-4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-1-yl]-phenylmethanone
CID 59250200
[4-(2-fluorophenyl)piperazin-1-yl]-(4-prop-2-ynoxyphenyl)methanone
CID 6471948
4-[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]benzoyl]morpholin-2-one
CID 175740761
[4-(2-fluorophenyl)piperazin-1-yl]-[4-(2-methylprop-2-enoxy)phenyl]methanone
CID 6472277
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid
CID 82183776
[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl] acetate
CID 798609
4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]-N-phenylbenzamide
CID 69063215
N-[4-[3-[4-(2-fluorophenyl)piperazin-1-yl]propoxy]phenyl]acetamide
CID 91937741

Frequently Asked Questions

What is the IUPAC name of [4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 172785381) is [4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone is O=C(c1ccc(OCCCN2CC3CCCC3C2)cc1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of [4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is OUXMAELGUVNEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34FN3O2/c28-25-7-1-2-8-26(25)30-14-16-31(17-15-30)27(32)21-9-11-24(12-10-21)33-18-4-13-29-19-22-5-3-6-23(22)20-29/h1-2,7-12,22-23H,3-6,13-20H2.
What are the key properties of [4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 451.59 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 172785381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).