(3-fluorophenyl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone

C24H21FN2O2 — CID 110365297

IUPAC(3-fluorophenyl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCN(C(=O)c2cccc(-c3ccccc3)c2)CC1
InChIInChI=1S/C24H21FN2O2/c25-22-11-5-10-21(17-22)24(29)27-14-12-26(13-15-27)23(28)20-9-4-8-19(16-20)18-6-2-1-3-7-18/h1-11,16-17H,12-15H2
InChIKeyGVJFYSMSVOOCSX-UHFFFAOYSA-N
MW388.44 g/mol
LogP4.09
Rot. Bonds3

About (3-fluorophenyl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone

(3-fluorophenyl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone (PubChem CID 110365297) has the molecular formula C24H21FN2O2 and a molecular weight of 388.44 g/mol. Its IUPAC name is (3-fluorophenyl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone
PubChem CID110365297
Molecular FormulaC24H21FN2O2
Molecular Weight388.44 g/mol
Exact Mass388.16
IUPAC Name(3-fluorophenyl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCN(C(=O)c2cccc(-c3ccccc3)c2)CC1
InChIInChI=1S/C24H21FN2O2/c25-22-11-5-10-21(17-22)24(29)27-14-12-26(13-15-27)23(28)20-9-4-8-19(16-20)18-6-2-1-3-7-18/h1-11,16-17H,12-15H2
InChIKeyGVJFYSMSVOOCSX-UHFFFAOYSA-N
XLogP4.09
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3-phenylbenzoyl)piperazin-1-yl]ethanone
CID 110755413
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
2-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083234
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
(3-fluorophenyl)-[9-(4-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 3234335
(1-oxo-1,4-thiazinan-4-yl)-(3-phenylphenyl)methanone
CID 110721543
(1-methylpyrrol-3-yl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone
CID 110803225
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110365289
[3-(3-fluorophenyl)phenyl]-(4-piperidin-4-ylpiperidin-1-yl)methanone
CID 146043610
1-(3-fluorobenzoyl)-4-phenyl-1,4-diazepan-5-one
CID 110873908
(3-fluorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 110721506
(3-fluorophenyl)-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078904

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone (CID 110365297) is (3-fluorophenyl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone is O=C(c1cccc(F)c1)N1CCN(C(=O)c2cccc(-c3ccccc3)c2)CC1.
What is the InChIKey of (3-fluorophenyl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone?
The InChIKey is GVJFYSMSVOOCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O2/c25-22-11-5-10-21(17-22)24(29)27-14-12-26(13-15-27)23(28)20-9-4-8-19(16-20)18-6-2-1-3-7-18/h1-11,16-17H,12-15H2.
What are the key properties of (3-fluorophenyl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone?
(3-fluorophenyl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone has a molecular weight of 388.44 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110365297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).