4-(3-fluorobenzoyl)-3-(2-methylphenyl)piperazin-2-one

C18H17FN2O2 — CID 110657161

IUPAC4-(3-fluorobenzoyl)-3-(2-methylphenyl)piperazin-2-one
SMILESCc1ccccc1C1C(=O)NCCN1C(=O)c1cccc(F)c1
InChIInChI=1S/C18H17FN2O2/c1-12-5-2-3-8-15(12)16-17(22)20-9-10-21(16)18(23)13-6-4-7-14(19)11-13/h2-8,11,16H,9-10H2,1H3,(H,20,22)
InChIKeyIJIZGUDEPANLFO-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.45
Rot. Bonds2

About 4-(3-fluorobenzoyl)-3-(2-methylphenyl)piperazin-2-one

4-(3-fluorobenzoyl)-3-(2-methylphenyl)piperazin-2-one (PubChem CID 110657161) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 4-(3-fluorobenzoyl)-3-(2-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(3-fluorobenzoyl)-3-(2-methylphenyl)piperazin-2-one
PubChem CID110657161
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name4-(3-fluorobenzoyl)-3-(2-methylphenyl)piperazin-2-one
SMILESCc1ccccc1C1C(=O)NCCN1C(=O)c1cccc(F)c1
InChIInChI=1S/C18H17FN2O2/c1-12-5-2-3-8-15(12)16-17(22)20-9-10-21(16)18(23)13-6-4-7-14(19)11-13/h2-8,11,16H,9-10H2,1H3,(H,20,22)
InChIKeyIJIZGUDEPANLFO-UHFFFAOYSA-N
XLogP2.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methylbenzoyl)-3-(2-methylphenyl)piperazin-2-one
CID 110657157
4-(2-bromobenzoyl)-3-(2-methylphenyl)piperazin-2-one
CID 110657163
3-(2-methylphenyl)-4-propanoylpiperazin-2-one
CID 110657143
4-(adamantane-1-carbonyl)-3-(2-methylphenyl)piperazin-2-one
CID 110657233
4-(2H-benzotriazole-4-carbonyl)-3-(2-methylphenyl)piperazin-2-one
CID 86804542
3-(2-methylphenyl)-4-(2-phenylacetyl)piperazin-2-one
CID 110657182
4-(3,3-dimethylbutanoyl)-3-(2-methylphenyl)piperazin-2-one
CID 110657246
N,N-diethyl-2-(2-methylphenyl)-3-oxopiperazine-1-carboxamide
CID 110657229
N-[3-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]phenyl]acetamide
CID 110669936
(3R)-3-(3-fluorophenyl)-4-[2-(methylamino)pyridine-4-carbonyl]piperazin-2-one
CID 95147843
(6R)-1-(3-fluorobenzoyl)-6-[[3-(2-methylphenyl)phenyl]methyl]-1,4-diazepan-5-one
CID 92562194
(3-fluorophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672072

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorobenzoyl)-3-(2-methylphenyl)piperazin-2-one?
The IUPAC name of 4-(3-fluorobenzoyl)-3-(2-methylphenyl)piperazin-2-one (CID 110657161) is 4-(3-fluorobenzoyl)-3-(2-methylphenyl)piperazin-2-one.
What is the SMILES notation for 4-(3-fluorobenzoyl)-3-(2-methylphenyl)piperazin-2-one?
The canonical SMILES for 4-(3-fluorobenzoyl)-3-(2-methylphenyl)piperazin-2-one is Cc1ccccc1C1C(=O)NCCN1C(=O)c1cccc(F)c1.
What is the InChIKey of 4-(3-fluorobenzoyl)-3-(2-methylphenyl)piperazin-2-one?
The InChIKey is IJIZGUDEPANLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-12-5-2-3-8-15(12)16-17(22)20-9-10-21(16)18(23)13-6-4-7-14(19)11-13/h2-8,11,16H,9-10H2,1H3,(H,20,22).
What are the key properties of 4-(3-fluorobenzoyl)-3-(2-methylphenyl)piperazin-2-one?
4-(3-fluorobenzoyl)-3-(2-methylphenyl)piperazin-2-one has a molecular weight of 312.34 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorobenzoyl)-3-(2-methylphenyl)piperazin-2-one is sourced from PubChem (CID 110657161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).