[4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone

C18H17FN2O2 — CID 776715

IUPAC[4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C18H17FN2O2/c19-16-9-5-4-8-15(16)18(23)21-12-10-20(11-13-21)17(22)14-6-2-1-3-7-14/h1-9H,10-13H2
InChIKeyHUHRGLLCSXXACQ-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.42
Rot. Bonds2

About [4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone

[4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone (PubChem CID 776715) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is [4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone
PubChem CID776715
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name[4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C18H17FN2O2/c19-16-9-5-4-8-15(16)18(23)21-12-10-20(11-13-21)17(22)14-6-2-1-3-7-14/h1-9H,10-13H2
InChIKeyHUHRGLLCSXXACQ-UHFFFAOYSA-N
XLogP2.42
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromophenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone
CID 110365249
[4-(2-fluorobenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 579725
[4-(2-fluoro-3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 154833021
(3,4-dimethylphenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone
CID 110365044
[4-(5-chloro-2-fluorobenzoyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 36615888
[4-(2-fluorobenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 776701
[4-(aminomethyl)phenyl]-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 119282152
[4-(2,6-difluorophenyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 113081228
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 33466238
2-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083235
[4-[4-(2,5-difluorobenzoyl)piperazine-1-carbonyl]phenyl]-phenylmethanone
CID 166198252
4-(2-fluorobenzoyl)piperazine-1-carbohydrazide
CID 82304393

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone (CID 776715) is [4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCN(C(=O)c2ccccc2F)CC1.
What is the InChIKey of [4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone?
The InChIKey is HUHRGLLCSXXACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c19-16-9-5-4-8-15(16)18(23)21-12-10-20(11-13-21)17(22)14-6-2-1-3-7-14/h1-9H,10-13H2.
What are the key properties of [4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone?
[4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone has a molecular weight of 312.34 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 776715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).