4-[2-(2-fluorophenyl)acetyl]-3-phenylpiperazin-2-one

C18H17FN2O2 — CID 110728495

IUPAC4-[2-(2-fluorophenyl)acetyl]-3-phenylpiperazin-2-one
SMILESO=C1NCCN(C(=O)Cc2ccccc2F)C1c1ccccc1
InChIInChI=1S/C18H17FN2O2/c19-15-9-5-4-8-14(15)12-16(22)21-11-10-20-18(23)17(21)13-6-2-1-3-7-13/h1-9,17H,10-12H2,(H,20,23)
InChIKeyVXDWMXRJQXEEIO-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.07
Rot. Bonds3

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

4-[2-(2-fluorophenyl)acetyl]-3-phenylpiperazin-2-one (PubChem CID 110728495) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 4-[2-(2-fluorophenyl)acetyl]-3-phenylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(2-fluorophenyl)acetyl]-3-phenylpiperazin-2-one
PubChem CID110728495
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name4-[2-(2-fluorophenyl)acetyl]-3-phenylpiperazin-2-one
SMILESO=C1NCCN(C(=O)Cc2ccccc2F)C1c1ccccc1
InChIInChI=1S/C18H17FN2O2/c19-15-9-5-4-8-14(15)12-16(22)21-11-10-20-18(23)17(21)13-6-2-1-3-7-13/h1-9,17H,10-12H2,(H,20,23)
InChIKeyVXDWMXRJQXEEIO-UHFFFAOYSA-N
XLogP2.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-4-(2-thiophen-2-ylacetyl)piperazin-2-one
CID 110644588
4-[3-(3-fluorophenyl)propanoyl]-3-phenylpiperazin-2-one
CID 110728490
4-[2-(4-chlorophenyl)acetyl]-3-(2-fluorophenyl)piperazin-2-one
CID 110657002
4-[2-(3-methoxyphenyl)acetyl]-3-phenylpiperazin-2-one
CID 110728500
4-(2-fluorobenzoyl)-3-(4-fluorophenyl)piperazin-2-one
CID 110428490
4-[2-(4-fluorophenyl)acetyl]-3-(4-methylphenyl)piperazin-2-one
CID 110420024
(3R)-4-(3-fluoropyridine-4-carbonyl)-3-phenylpiperazin-2-one
CID 97014985
3-(3-chlorophenyl)-4-[2-(4-fluorophenyl)acetyl]piperazin-2-one
CID 110656819
cis-(1R,2S)-2-[(2S)-3-oxo-2-phenylpiperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125119958
4-[2-(4-fluorophenyl)acetyl]-3-(4-methoxyphenyl)piperazin-2-one
CID 110420396
(3S)-4-[2-(1H-benzimidazol-2-yl)acetyl]-3-(3-fluorophenyl)piperazin-2-one
CID 126453334
1-(4-fluorophenyl)-4-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]butane-1,4-dione
CID 110426009

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-fluorophenyl)acetyl]-3-phenylpiperazin-2-one?
The IUPAC name of 4-[2-(2-fluorophenyl)acetyl]-3-phenylpiperazin-2-one (CID 110728495) is 4-[2-(2-fluorophenyl)acetyl]-3-phenylpiperazin-2-one.
What is the SMILES notation for 4-[2-(2-fluorophenyl)acetyl]-3-phenylpiperazin-2-one?
The canonical SMILES for 4-[2-(2-fluorophenyl)acetyl]-3-phenylpiperazin-2-one is O=C1NCCN(C(=O)Cc2ccccc2F)C1c1ccccc1.
What is the InChIKey of 4-[2-(2-fluorophenyl)acetyl]-3-phenylpiperazin-2-one?
The InChIKey is VXDWMXRJQXEEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c19-15-9-5-4-8-14(15)12-16(22)21-11-10-20-18(23)17(21)13-6-2-1-3-7-13/h1-9,17H,10-12H2,(H,20,23).
What are the key properties of 4-[2-(2-fluorophenyl)acetyl]-3-phenylpiperazin-2-one?
4-[2-(2-fluorophenyl)acetyl]-3-phenylpiperazin-2-one has a molecular weight of 312.34 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluorophenyl)acetyl]-3-phenylpiperazin-2-one is sourced from PubChem (CID 110728495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).