1-[3-fluoro-4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]propan-1-one

C20H20F2N2O2 — CID 609748

IUPAC1-[3-fluoro-4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(N2CCN(C(=O)c3ccccc3F)CC2)c(F)c1
InChIInChI=1S/C20H20F2N2O2/c1-2-19(25)14-7-8-18(17(22)13-14)23-9-11-24(12-10-23)20(26)15-5-3-4-6-16(15)21/h3-8,13H,2,9-12H2,1H3
InChIKeyMMFYBQKTTCKESH-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.52
Rot. Bonds4

About 1-[3-fluoro-4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]propan-1-one

1-[3-fluoro-4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]propan-1-one (PubChem CID 609748) has the molecular formula C20H20F2N2O2 and a molecular weight of 358.39 g/mol. Its IUPAC name is 1-[3-fluoro-4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[3-fluoro-4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]propan-1-one
PubChem CID609748
Molecular FormulaC20H20F2N2O2
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name1-[3-fluoro-4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(N2CCN(C(=O)c3ccccc3F)CC2)c(F)c1
InChIInChI=1S/C20H20F2N2O2/c1-2-19(25)14-7-8-18(17(22)13-14)23-9-11-24(12-10-23)20(26)15-5-3-4-6-16(15)21/h3-8,13H,2,9-12H2,1H3
InChIKeyMMFYBQKTTCKESH-UHFFFAOYSA-N
XLogP3.52
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-fluoro-4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]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

1-[4-[4-(2-chloro-4,5-difluorobenzoyl)piperazin-1-yl]-3-fluorophenyl]propan-1-one
CID 1282871
1-[4-(2-fluoro-4-propanoylphenyl)piperazin-1-yl]butan-1-one
CID 673155
1-[3-fluoro-4-[4-[2-(4-methylpiperazin-1-yl)-5-nitrobenzoyl]piperazin-1-yl]phenyl]propan-1-one
CID 2885266
1-[5-fluoro-4-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-methylphenyl]ethanone
CID 1152757
[4-(2-fluorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 808454
[4-(2,6-difluorophenyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 113081228
(3,4-dimethylphenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone
CID 110365044
(2,4-dimethylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 925290
[4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 776715
(5-ethylthiophen-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 17217714
(2-fluorophenyl)-[4-(2-methyl-4-nitrophenyl)piperazin-1-yl]methanone
CID 2964854
1-[4-[4-(2-bromobenzoyl)piperazin-1-yl]-5-fluoro-2-methylphenyl]butan-1-one
CID 1339605

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]propan-1-one?
The IUPAC name of 1-[3-fluoro-4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]propan-1-one (CID 609748) is 1-[3-fluoro-4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]propan-1-one.
What is the SMILES notation for 1-[3-fluoro-4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]propan-1-one?
The canonical SMILES for 1-[3-fluoro-4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]propan-1-one is CCC(=O)c1ccc(N2CCN(C(=O)c3ccccc3F)CC2)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]propan-1-one?
The InChIKey is MMFYBQKTTCKESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O2/c1-2-19(25)14-7-8-18(17(22)13-14)23-9-11-24(12-10-23)20(26)15-5-3-4-6-16(15)21/h3-8,13H,2,9-12H2,1H3.
What are the key properties of 1-[3-fluoro-4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]propan-1-one?
1-[3-fluoro-4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]propan-1-one has a molecular weight of 358.39 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]propan-1-one is sourced from PubChem (CID 609748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).