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

C19H20N2O3 — CID 110728500

IUPAC4-[2-(3-methoxyphenyl)acetyl]-3-phenylpiperazin-2-one
SMILESCOc1cccc(CC(=O)N2CCNC(=O)C2c2ccccc2)c1
InChIInChI=1S/C19H20N2O3/c1-24-16-9-5-6-14(12-16)13-17(22)21-11-10-20-19(23)18(21)15-7-3-2-4-8-15/h2-9,12,18H,10-11,13H2,1H3,(H,20,23)
InChIKeyQJCKWILXGBMQDH-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.94
Rot. Bonds4

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

4-[2-(3-methoxyphenyl)acetyl]-3-phenylpiperazin-2-one (PubChem CID 110728500) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-[2-(3-methoxyphenyl)acetyl]-3-phenylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(3-methoxyphenyl)acetyl]-3-phenylpiperazin-2-one
PubChem CID110728500
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name4-[2-(3-methoxyphenyl)acetyl]-3-phenylpiperazin-2-one
SMILESCOc1cccc(CC(=O)N2CCNC(=O)C2c2ccccc2)c1
InChIInChI=1S/C19H20N2O3/c1-24-16-9-5-6-14(12-16)13-17(22)21-11-10-20-19(23)18(21)15-7-3-2-4-8-15/h2-9,12,18H,10-11,13H2,1H3,(H,20,23)
InChIKeyQJCKWILXGBMQDH-UHFFFAOYSA-N
XLogP1.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-4-[3-(3-methoxyphenyl)propanoyl]piperazin-2-one
CID 110644775
4-[2-(4-fluorophenyl)acetyl]-3-(4-methoxyphenyl)piperazin-2-one
CID 110420396
(3S)-4-[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]-3-phenylpiperazin-2-one
CID 52909331
4-[3-(3-fluorophenyl)propanoyl]-3-phenylpiperazin-2-one
CID 110728490
9-[2-(3-methoxyphenyl)acetyl]-2,3,4,6,7,8,10,10a-octahydropyrazino[1,2-a][1,4]diazepin-1-one
CID 146074087
3-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)propanoyl]piperazin-2-one
CID 110420424
4-[2-(2-fluorophenyl)acetyl]-3-phenylpiperazin-2-one
CID 110728495
3-(2-methylphenyl)-4-(2-phenylacetyl)piperazin-2-one
CID 110657182
4-[2-(3,4-dimethoxyphenyl)acetyl]-3-(2-fluorophenyl)piperazin-2-one
CID 110657027
1-[2-(3-methoxyphenyl)acetyl]-6-[(2-phenylphenyl)methyl]-1,4-diazepan-5-one
CID 110245735
1-[2-(3-methoxyphenyl)acetyl]azepane-2-carboxylic acid
CID 64559530
3-phenyl-4-(2-thiophen-2-ylacetyl)piperazin-2-one
CID 110644588

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methoxyphenyl)acetyl]-3-phenylpiperazin-2-one?
The IUPAC name of 4-[2-(3-methoxyphenyl)acetyl]-3-phenylpiperazin-2-one (CID 110728500) is 4-[2-(3-methoxyphenyl)acetyl]-3-phenylpiperazin-2-one.
What is the SMILES notation for 4-[2-(3-methoxyphenyl)acetyl]-3-phenylpiperazin-2-one?
The canonical SMILES for 4-[2-(3-methoxyphenyl)acetyl]-3-phenylpiperazin-2-one is COc1cccc(CC(=O)N2CCNC(=O)C2c2ccccc2)c1.
What is the InChIKey of 4-[2-(3-methoxyphenyl)acetyl]-3-phenylpiperazin-2-one?
The InChIKey is QJCKWILXGBMQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-24-16-9-5-6-14(12-16)13-17(22)21-11-10-20-19(23)18(21)15-7-3-2-4-8-15/h2-9,12,18H,10-11,13H2,1H3,(H,20,23).
What are the key properties of 4-[2-(3-methoxyphenyl)acetyl]-3-phenylpiperazin-2-one?
4-[2-(3-methoxyphenyl)acetyl]-3-phenylpiperazin-2-one has a molecular weight of 324.38 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methoxyphenyl)acetyl]-3-phenylpiperazin-2-one is sourced from PubChem (CID 110728500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).