3-(3-chlorophenyl)-4-[2-(4-fluorophenyl)acetyl]piperazin-2-one

C18H16ClFN2O2 — CID 110656819

IUPAC3-(3-chlorophenyl)-4-[2-(4-fluorophenyl)acetyl]piperazin-2-one
SMILESO=C1NCCN(C(=O)Cc2ccc(F)cc2)C1c1cccc(Cl)c1
InChIInChI=1S/C18H16ClFN2O2/c19-14-3-1-2-13(11-14)17-18(24)21-8-9-22(17)16(23)10-12-4-6-15(20)7-5-12/h1-7,11,17H,8-10H2,(H,21,24)
InChIKeyVIBAUJMEJXUKSL-UHFFFAOYSA-N
MW346.79 g/mol
LogP2.72
Rot. Bonds3

About 3-(3-chlorophenyl)-4-[2-(4-fluorophenyl)acetyl]piperazin-2-one

3-(3-chlorophenyl)-4-[2-(4-fluorophenyl)acetyl]piperazin-2-one (PubChem CID 110656819) has the molecular formula C18H16ClFN2O2 and a molecular weight of 346.79 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-4-[2-(4-fluorophenyl)acetyl]piperazin-2-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-4-[2-(4-fluorophenyl)acetyl]piperazin-2-one
PubChem CID110656819
Molecular FormulaC18H16ClFN2O2
Molecular Weight346.79 g/mol
Exact Mass346.09
IUPAC Name3-(3-chlorophenyl)-4-[2-(4-fluorophenyl)acetyl]piperazin-2-one
SMILESO=C1NCCN(C(=O)Cc2ccc(F)cc2)C1c1cccc(Cl)c1
InChIInChI=1S/C18H16ClFN2O2/c19-14-3-1-2-13(11-14)17-18(24)21-8-9-22(17)16(23)10-12-4-6-15(20)7-5-12/h1-7,11,17H,8-10H2,(H,21,24)
InChIKeyVIBAUJMEJXUKSL-UHFFFAOYSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.79
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 120803593
3-(3-chlorophenyl)-4-[3-(4-ethylphenyl)propanoyl]piperazin-2-one
CID 110656877
4-[2-(4-fluorophenyl)acetyl]-3-(4-methylphenyl)piperazin-2-one
CID 110420024
(3S)-4-[2-[4-(2-aminoethoxy)phenyl]acetyl]-3-(3-fluorophenyl)piperazin-2-one
CID 126430821
3-(3-chlorophenyl)-4-(2,2-dimethylpropanoyl)piperazin-2-one
CID 110656787
4-[2-(4-chlorophenyl)acetyl]-3-(2-fluorophenyl)piperazin-2-one
CID 110657002
4-[2-(4-chlorophenoxy)acetyl]-3-(3-chlorophenyl)piperazin-2-one
CID 110656825
4-[2-(4-fluorophenyl)acetyl]-3-(4-methoxyphenyl)piperazin-2-one
CID 110420396
methyl 2-(3-chlorophenyl)-3-oxopiperazine-1-carboxylate
CID 110656859
3-(3-chlorophenyl)-4-(morpholine-4-carbonyl)piperazin-2-one
CID 110656867
4-[2-(2-fluorophenyl)acetyl]-3-phenylpiperazin-2-one
CID 110728495
4-[3-(3-fluorophenyl)propanoyl]-3-phenylpiperazin-2-one
CID 110728490

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-4-[2-(4-fluorophenyl)acetyl]piperazin-2-one?
The IUPAC name of 3-(3-chlorophenyl)-4-[2-(4-fluorophenyl)acetyl]piperazin-2-one (CID 110656819) is 3-(3-chlorophenyl)-4-[2-(4-fluorophenyl)acetyl]piperazin-2-one.
What is the SMILES notation for 3-(3-chlorophenyl)-4-[2-(4-fluorophenyl)acetyl]piperazin-2-one?
The canonical SMILES for 3-(3-chlorophenyl)-4-[2-(4-fluorophenyl)acetyl]piperazin-2-one is O=C1NCCN(C(=O)Cc2ccc(F)cc2)C1c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-4-[2-(4-fluorophenyl)acetyl]piperazin-2-one?
The InChIKey is VIBAUJMEJXUKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O2/c19-14-3-1-2-13(11-14)17-18(24)21-8-9-22(17)16(23)10-12-4-6-15(20)7-5-12/h1-7,11,17H,8-10H2,(H,21,24).
What are the key properties of 3-(3-chlorophenyl)-4-[2-(4-fluorophenyl)acetyl]piperazin-2-one?
3-(3-chlorophenyl)-4-[2-(4-fluorophenyl)acetyl]piperazin-2-one has a molecular weight of 346.79 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-4-[2-(4-fluorophenyl)acetyl]piperazin-2-one is sourced from PubChem (CID 110656819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).