3-(3-fluorophenyl)-4-[2-(2-phenylimidazol-1-yl)acetyl]piperazin-2-one

C21H19FN4O2 — CID 72862229

IUPAC3-(3-fluorophenyl)-4-[2-(2-phenylimidazol-1-yl)acetyl]piperazin-2-one
SMILESO=C1NCCN(C(=O)Cn2ccnc2-c2ccccc2)C1c1cccc(F)c1
InChIInChI=1S/C21H19FN4O2/c22-17-8-4-7-16(13-17)19-21(28)24-10-12-26(19)18(27)14-25-11-9-23-20(25)15-5-2-1-3-6-15/h1-9,11,13,19H,10,12,14H2,(H,24,28)
InChIKeyLCICRZUOPLAVKA-UHFFFAOYSA-N
MW378.41 g/mol
LogP2.39
Rot. Bonds4

About 3-(3-fluorophenyl)-4-[2-(2-phenylimidazol-1-yl)acetyl]piperazin-2-one

3-(3-fluorophenyl)-4-[2-(2-phenylimidazol-1-yl)acetyl]piperazin-2-one (PubChem CID 72862229) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-4-[2-(2-phenylimidazol-1-yl)acetyl]piperazin-2-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)-4-[2-(2-phenylimidazol-1-yl)acetyl]piperazin-2-one
PubChem CID72862229
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name3-(3-fluorophenyl)-4-[2-(2-phenylimidazol-1-yl)acetyl]piperazin-2-one
SMILESO=C1NCCN(C(=O)Cn2ccnc2-c2ccccc2)C1c1cccc(F)c1
InChIInChI=1S/C21H19FN4O2/c22-17-8-4-7-16(13-17)19-21(28)24-10-12-26(19)18(27)14-25-11-9-23-20(25)15-5-2-1-3-6-15/h1-9,11,13,19H,10,12,14H2,(H,24,28)
InChIKeyLCICRZUOPLAVKA-UHFFFAOYSA-N
XLogP2.39
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(3-fluorophenyl)propanoyl]-3-phenylpiperazin-2-one
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N-[1-[2-[(2R)-2-(3-fluorophenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide
CID 42501099
(3S)-4-[2-[4-(2-aminoethoxy)phenyl]acetyl]-3-(3-fluorophenyl)piperazin-2-one
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2-[2-[2-(3-methylphenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 110657548
(3S)-3-(3-fluorophenyl)-4-[4-(1H-pyrazol-5-yl)benzoyl]piperazin-2-one
CID 95136778
4-[2-(2-fluorophenyl)acetyl]-3-phenylpiperazin-2-one
CID 110728495
(3R)-3-(3-fluorophenyl)-4-[2-(methylamino)pyridine-4-carbonyl]piperazin-2-one
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1-[2-(2-phenylimidazol-1-yl)acetyl]piperidin-4-one
CID 61071787
3-(3-chlorophenyl)-4-[2-(4-fluorophenyl)acetyl]piperazin-2-one
CID 110656819
(3S)-4-[4-(3-aminopropoxy)benzoyl]-3-(3-fluorophenyl)piperazin-2-one
CID 125168382
(3R)-3-(3-fluorophenyl)-4-[3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanoyl]piperazin-2-one
CID 95861004

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-4-[2-(2-phenylimidazol-1-yl)acetyl]piperazin-2-one?
The IUPAC name of 3-(3-fluorophenyl)-4-[2-(2-phenylimidazol-1-yl)acetyl]piperazin-2-one (CID 72862229) is 3-(3-fluorophenyl)-4-[2-(2-phenylimidazol-1-yl)acetyl]piperazin-2-one.
What is the SMILES notation for 3-(3-fluorophenyl)-4-[2-(2-phenylimidazol-1-yl)acetyl]piperazin-2-one?
The canonical SMILES for 3-(3-fluorophenyl)-4-[2-(2-phenylimidazol-1-yl)acetyl]piperazin-2-one is O=C1NCCN(C(=O)Cn2ccnc2-c2ccccc2)C1c1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-4-[2-(2-phenylimidazol-1-yl)acetyl]piperazin-2-one?
The InChIKey is LCICRZUOPLAVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c22-17-8-4-7-16(13-17)19-21(28)24-10-12-26(19)18(27)14-25-11-9-23-20(25)15-5-2-1-3-6-15/h1-9,11,13,19H,10,12,14H2,(H,24,28).
What are the key properties of 3-(3-fluorophenyl)-4-[2-(2-phenylimidazol-1-yl)acetyl]piperazin-2-one?
3-(3-fluorophenyl)-4-[2-(2-phenylimidazol-1-yl)acetyl]piperazin-2-one has a molecular weight of 378.41 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-4-[2-(2-phenylimidazol-1-yl)acetyl]piperazin-2-one is sourced from PubChem (CID 72862229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).