3-(2-ethylimidazol-1-yl)-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one

C23H32FN5O — CID 24817420

IUPAC3-(2-ethylimidazol-1-yl)-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one
SMILESCCc1nccn1CCC(=O)N1CCCC(N2CCN(c3ccccc3F)CC2)C1
InChIInChI=1S/C23H32FN5O/c1-2-22-25-10-13-28(22)12-9-23(30)29-11-5-6-19(18-29)26-14-16-27(17-15-26)21-8-4-3-7-20(21)24/h3-4,7-8,10,13,19H,2,5-6,9,11-12,14-18H2,1H3
InChIKeyGRVZTUKBSGSTAE-UHFFFAOYSA-N
MW413.54 g/mol
LogP2.79
Rot. Bonds6

About 3-(2-ethylimidazol-1-yl)-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one

3-(2-ethylimidazol-1-yl)-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one (PubChem CID 24817420) has the molecular formula C23H32FN5O and a molecular weight of 413.54 g/mol. Its IUPAC name is 3-(2-ethylimidazol-1-yl)-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-ethylimidazol-1-yl)-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one
PubChem CID24817420
Molecular FormulaC23H32FN5O
Molecular Weight413.54 g/mol
Exact Mass413.26
IUPAC Name3-(2-ethylimidazol-1-yl)-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one
SMILESCCc1nccn1CCC(=O)N1CCCC(N2CCN(c3ccccc3F)CC2)C1
InChIInChI=1S/C23H32FN5O/c1-2-22-25-10-13-28(22)12-9-23(30)29-11-5-6-19(18-29)26-14-16-27(17-15-26)21-8-4-3-7-20(21)24/h3-4,7-8,10,13,19H,2,5-6,9,11-12,14-18H2,1H3
InChIKeyGRVZTUKBSGSTAE-UHFFFAOYSA-N
XLogP2.79
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(2-ethylimidazol-1-yl)-1-[3-[4-(2-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

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylimidazol-1-yl)-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(2-ethylimidazol-1-yl)-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one (CID 24817420) is 3-(2-ethylimidazol-1-yl)-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-ethylimidazol-1-yl)-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2-ethylimidazol-1-yl)-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one is CCc1nccn1CCC(=O)N1CCCC(N2CCN(c3ccccc3F)CC2)C1.
What is the InChIKey of 3-(2-ethylimidazol-1-yl)-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one?
The InChIKey is GRVZTUKBSGSTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN5O/c1-2-22-25-10-13-28(22)12-9-23(30)29-11-5-6-19(18-29)26-14-16-27(17-15-26)21-8-4-3-7-20(21)24/h3-4,7-8,10,13,19H,2,5-6,9,11-12,14-18H2,1H3.
What are the key properties of 3-(2-ethylimidazol-1-yl)-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one?
3-(2-ethylimidazol-1-yl)-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one has a molecular weight of 413.54 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylimidazol-1-yl)-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 24817420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).