4-[2-(3-methoxyphenyl)acetyl]-1-phenylpiperazin-2-one

C19H20N2O3 — CID 110708431

IUPAC4-[2-(3-methoxyphenyl)acetyl]-1-phenylpiperazin-2-one
SMILESCOc1cccc(CC(=O)N2CCN(c3ccccc3)C(=O)C2)c1
InChIInChI=1S/C19H20N2O3/c1-24-17-9-5-6-15(12-17)13-18(22)20-10-11-21(19(23)14-20)16-7-3-2-4-8-16/h2-9,12H,10-11,13-14H2,1H3
InChIKeyJZPPVLOWXVAYFS-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.11
Rot. Bonds4

About 4-[2-(3-methoxyphenyl)acetyl]-1-phenylpiperazin-2-one

4-[2-(3-methoxyphenyl)acetyl]-1-phenylpiperazin-2-one (PubChem CID 110708431) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-[2-(3-methoxyphenyl)acetyl]-1-phenylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(3-methoxyphenyl)acetyl]-1-phenylpiperazin-2-one
PubChem CID110708431
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name4-[2-(3-methoxyphenyl)acetyl]-1-phenylpiperazin-2-one
SMILESCOc1cccc(CC(=O)N2CCN(c3ccccc3)C(=O)C2)c1
InChIInChI=1S/C19H20N2O3/c1-24-17-9-5-6-15(12-17)13-18(22)20-10-11-21(19(23)14-20)16-7-3-2-4-8-16/h2-9,12H,10-11,13-14H2,1H3
InChIKeyJZPPVLOWXVAYFS-UHFFFAOYSA-N
XLogP2.11
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(3-chlorophenyl)acetyl]-1-phenylpiperazin-2-one
CID 110708429
4-[2-(4-methoxyphenyl)acetyl]-1-phenyl-1,4-diazepan-2-one
CID 110867159
2-(3-methoxyphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372538
1-(3-methoxyphenyl)-4-[(3R)-3-phenylbutanoyl]piperazin-2-one
CID 96577420
1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110817966
1-(3-methoxyphenyl)-4-[(2R)-2-phenoxypropanoyl]piperazin-2-one
CID 96571058
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 48868563
4-[2-(3-methoxy-2-oxo-1-pyridinyl)acetyl]-1-(3-methoxyphenyl)piperazin-2-one
CID 72901150
1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 55851491
1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone
CID 127120206
2-(3-methoxyphenyl)-1-[4-[2-(methylamino)acetyl]piperazin-1-yl]ethanone;hydrochloride
CID 119754913
2-(3-methoxyphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 9153668

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methoxyphenyl)acetyl]-1-phenylpiperazin-2-one?
The IUPAC name of 4-[2-(3-methoxyphenyl)acetyl]-1-phenylpiperazin-2-one (CID 110708431) is 4-[2-(3-methoxyphenyl)acetyl]-1-phenylpiperazin-2-one.
What is the SMILES notation for 4-[2-(3-methoxyphenyl)acetyl]-1-phenylpiperazin-2-one?
The canonical SMILES for 4-[2-(3-methoxyphenyl)acetyl]-1-phenylpiperazin-2-one is COc1cccc(CC(=O)N2CCN(c3ccccc3)C(=O)C2)c1.
What is the InChIKey of 4-[2-(3-methoxyphenyl)acetyl]-1-phenylpiperazin-2-one?
The InChIKey is JZPPVLOWXVAYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-24-17-9-5-6-15(12-17)13-18(22)20-10-11-21(19(23)14-20)16-7-3-2-4-8-16/h2-9,12H,10-11,13-14H2,1H3.
What are the key properties of 4-[2-(3-methoxyphenyl)acetyl]-1-phenylpiperazin-2-one?
4-[2-(3-methoxyphenyl)acetyl]-1-phenylpiperazin-2-one has a molecular weight of 324.38 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methoxyphenyl)acetyl]-1-phenylpiperazin-2-one is sourced from PubChem (CID 110708431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).