3-(benzimidazol-1-yl)-1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one

C25H30FN5O — CID 45252749

IUPAC3-(benzimidazol-1-yl)-1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one
SMILESO=C(CCn1cnc2ccccc21)N1CCCC(N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C25H30FN5O/c26-20-7-9-21(10-8-20)28-14-16-29(17-15-28)22-4-3-12-30(18-22)25(32)11-13-31-19-27-23-5-1-2-6-24(23)31/h1-2,5-10,19,22H,3-4,11-18H2
InChIKeyAMUHAFGDWBKPDQ-UHFFFAOYSA-N
MW435.55 g/mol
LogP3.38
Rot. Bonds5

About 3-(benzimidazol-1-yl)-1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one

3-(benzimidazol-1-yl)-1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one (PubChem CID 45252749) has the molecular formula C25H30FN5O and a molecular weight of 435.55 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one
PubChem CID45252749
Molecular FormulaC25H30FN5O
Molecular Weight435.55 g/mol
Exact Mass435.24
IUPAC Name3-(benzimidazol-1-yl)-1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one
SMILESO=C(CCn1cnc2ccccc21)N1CCCC(N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C25H30FN5O/c26-20-7-9-21(10-8-20)28-14-16-29(17-15-28)22-4-3-12-30(18-22)25(32)11-13-31-19-27-23-5-1-2-6-24(23)31/h1-2,5-10,19,22H,3-4,11-18H2
InChIKeyAMUHAFGDWBKPDQ-UHFFFAOYSA-N
XLogP3.38
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(benzimidazol-1-yl)-1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-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

Related Compounds

3-(benzimidazol-1-yl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]propanamide
CID 78889836
3,3,3-trifluoro-1-[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one
CID 25288759
3-(benzimidazol-1-yl)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62918787
3-(benzimidazol-1-yl)-1-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]propan-1-one
CID 95893607
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 45211610
3-(benzimidazol-1-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one
CID 132764398
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(benzimidazol-1-yl)propan-1-one
CID 119410362
[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 24790572
6-[1-[3-(benzimidazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one
CID 110115127
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(benzimidazol-1-yl)propan-1-one
CID 119484326
3-(benzimidazol-1-yl)-1-[3-(2-methoxybenzoyl)piperidin-1-yl]propan-1-one
CID 45227213
cyclobutyl-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 92986014

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(benzimidazol-1-yl)-1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one (CID 45252749) is 3-(benzimidazol-1-yl)-1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(benzimidazol-1-yl)-1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(benzimidazol-1-yl)-1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one is O=C(CCn1cnc2ccccc21)N1CCCC(N2CCN(c3ccc(F)cc3)CC2)C1.
What is the InChIKey of 3-(benzimidazol-1-yl)-1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one?
The InChIKey is AMUHAFGDWBKPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN5O/c26-20-7-9-21(10-8-20)28-14-16-29(17-15-28)22-4-3-12-30(18-22)25(32)11-13-31-19-27-23-5-1-2-6-24(23)31/h1-2,5-10,19,22H,3-4,11-18H2.
What are the key properties of 3-(benzimidazol-1-yl)-1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one?
3-(benzimidazol-1-yl)-1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one has a molecular weight of 435.55 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 45252749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).