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

C19H19FN2O2 — CID 110728490

IUPAC4-[3-(3-fluorophenyl)propanoyl]-3-phenylpiperazin-2-one
SMILESO=C1NCCN(C(=O)CCc2cccc(F)c2)C1c1ccccc1
InChIInChI=1S/C19H19FN2O2/c20-16-8-4-5-14(13-16)9-10-17(23)22-12-11-21-19(24)18(22)15-6-2-1-3-7-15/h1-8,13,18H,9-12H2,(H,21,24)
InChIKeyUBSGMXBJYAZJEY-UHFFFAOYSA-N
MW326.37 g/mol
LogP2.46
Rot. Bonds4

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

4-[3-(3-fluorophenyl)propanoyl]-3-phenylpiperazin-2-one (PubChem CID 110728490) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 4-[3-(3-fluorophenyl)propanoyl]-3-phenylpiperazin-2-one.

Molecular Properties

Compound Name4-[3-(3-fluorophenyl)propanoyl]-3-phenylpiperazin-2-one
PubChem CID110728490
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name4-[3-(3-fluorophenyl)propanoyl]-3-phenylpiperazin-2-one
SMILESO=C1NCCN(C(=O)CCc2cccc(F)c2)C1c1ccccc1
InChIInChI=1S/C19H19FN2O2/c20-16-8-4-5-14(13-16)9-10-17(23)22-12-11-21-19(24)18(22)15-6-2-1-3-7-15/h1-8,13,18H,9-12H2,(H,21,24)
InChIKeyUBSGMXBJYAZJEY-UHFFFAOYSA-N
XLogP2.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-4-[3-(3-methoxyphenyl)propanoyl]piperazin-2-one
CID 110644775
3-(3-chlorophenyl)-4-[3-(4-ethylphenyl)propanoyl]piperazin-2-one
CID 110656877
4-[2-(3-methoxyphenyl)acetyl]-3-phenylpiperazin-2-one
CID 110728500
(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
4-[2-(2-fluorophenyl)acetyl]-3-phenylpiperazin-2-one
CID 110728495
(3S)-4-[2-[4-(2-aminoethoxy)phenyl]acetyl]-3-(3-fluorophenyl)piperazin-2-one
CID 126430821
3-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)propanoyl]piperazin-2-one
CID 110420424
3-(3-fluorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one
CID 82297475
1-(4-fluorophenyl)-4-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]butane-1,4-dione
CID 110426009
3-(3-fluorophenyl)-4-[2-(2-phenylimidazol-1-yl)acetyl]piperazin-2-one
CID 72862229
3-(3-chlorophenyl)-4-[2-(4-fluorophenyl)acetyl]piperazin-2-one
CID 110656819
2-(3-fluorophenyl)-N-[2-[2-(2-fluorophenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]acetamide
CID 166209794

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-fluorophenyl)propanoyl]-3-phenylpiperazin-2-one?
The IUPAC name of 4-[3-(3-fluorophenyl)propanoyl]-3-phenylpiperazin-2-one (CID 110728490) is 4-[3-(3-fluorophenyl)propanoyl]-3-phenylpiperazin-2-one.
What is the SMILES notation for 4-[3-(3-fluorophenyl)propanoyl]-3-phenylpiperazin-2-one?
The canonical SMILES for 4-[3-(3-fluorophenyl)propanoyl]-3-phenylpiperazin-2-one is O=C1NCCN(C(=O)CCc2cccc(F)c2)C1c1ccccc1.
What is the InChIKey of 4-[3-(3-fluorophenyl)propanoyl]-3-phenylpiperazin-2-one?
The InChIKey is UBSGMXBJYAZJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c20-16-8-4-5-14(13-16)9-10-17(23)22-12-11-21-19(24)18(22)15-6-2-1-3-7-15/h1-8,13,18H,9-12H2,(H,21,24).
What are the key properties of 4-[3-(3-fluorophenyl)propanoyl]-3-phenylpiperazin-2-one?
4-[3-(3-fluorophenyl)propanoyl]-3-phenylpiperazin-2-one has a molecular weight of 326.37 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-fluorophenyl)propanoyl]-3-phenylpiperazin-2-one is sourced from PubChem (CID 110728490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).