[4-(2-fluorobenzoyl)piperazin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone

C25H23FN2O3 — CID 134800061

IUPAC[4-(2-fluorobenzoyl)piperazin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone
SMILESCOc1ccccc1-c1cccc(C(=O)N2CCN(C(=O)c3ccccc3F)CC2)c1
InChIInChI=1S/C25H23FN2O3/c1-31-23-12-5-3-9-20(23)18-7-6-8-19(17-18)24(29)27-13-15-28(16-14-27)25(30)21-10-2-4-11-22(21)26/h2-12,17H,13-16H2,1H3
InChIKeyIXFZEGXUEVVNDI-UHFFFAOYSA-N
MW418.47 g/mol
LogP4.10
Rot. Bonds4

About [4-(2-fluorobenzoyl)piperazin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone

[4-(2-fluorobenzoyl)piperazin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone (PubChem CID 134800061) has the molecular formula C25H23FN2O3 and a molecular weight of 418.47 g/mol. Its IUPAC name is [4-(2-fluorobenzoyl)piperazin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(2-fluorobenzoyl)piperazin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone
PubChem CID134800061
Molecular FormulaC25H23FN2O3
Molecular Weight418.47 g/mol
Exact Mass418.17
IUPAC Name[4-(2-fluorobenzoyl)piperazin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone
SMILESCOc1ccccc1-c1cccc(C(=O)N2CCN(C(=O)c3ccccc3F)CC2)c1
InChIInChI=1S/C25H23FN2O3/c1-31-23-12-5-3-9-20(23)18-7-6-8-19(17-18)24(29)27-13-15-28(16-14-27)25(30)21-10-2-4-11-22(21)26/h2-12,17H,13-16H2,1H3
InChIKeyIXFZEGXUEVVNDI-UHFFFAOYSA-N
XLogP4.10
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-fluorobenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 776701
[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone
CID 131945890
2-(4-methoxyphenyl)-1-[4-[3-(2-methoxyphenyl)benzoyl]piperazin-1-yl]ethanone
CID 134802866
3-(2-methoxyphenyl)benzoic acid
CID 2759547
(2-fluorophenyl)-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone
CID 33466313
[4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 776715
(3,4-dimethylphenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone
CID 110365044
(3-bromophenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
CID 108533598
[2-(4-fluorophenyl)azetidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone
CID 91793401
3-[4-(2-methoxybenzoyl)piperazine-1-carbonyl]benzonitrile
CID 110818196
[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-[3-(methoxymethyl)phenyl]methanone
CID 78850073
[3-(3-methoxyphenoxy)azetidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone
CID 131920038

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorobenzoyl)piperazin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone?
The IUPAC name of [4-(2-fluorobenzoyl)piperazin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone (CID 134800061) is [4-(2-fluorobenzoyl)piperazin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone.
What is the SMILES notation for [4-(2-fluorobenzoyl)piperazin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone?
The canonical SMILES for [4-(2-fluorobenzoyl)piperazin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone is COc1ccccc1-c1cccc(C(=O)N2CCN(C(=O)c3ccccc3F)CC2)c1.
What is the InChIKey of [4-(2-fluorobenzoyl)piperazin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone?
The InChIKey is IXFZEGXUEVVNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O3/c1-31-23-12-5-3-9-20(23)18-7-6-8-19(17-18)24(29)27-13-15-28(16-14-27)25(30)21-10-2-4-11-22(21)26/h2-12,17H,13-16H2,1H3.
What are the key properties of [4-(2-fluorobenzoyl)piperazin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone?
[4-(2-fluorobenzoyl)piperazin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone has a molecular weight of 418.47 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorobenzoyl)piperazin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone is sourced from PubChem (CID 134800061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).