3-(2-methylphenyl)-4-(2-phenylacetyl)piperazin-2-one

C19H20N2O2 — CID 110657182

IUPAC3-(2-methylphenyl)-4-(2-phenylacetyl)piperazin-2-one
SMILESCc1ccccc1C1C(=O)NCCN1C(=O)Cc1ccccc1
InChIInChI=1S/C19H20N2O2/c1-14-7-5-6-10-16(14)18-19(23)20-11-12-21(18)17(22)13-15-8-3-2-4-9-15/h2-10,18H,11-13H2,1H3,(H,20,23)
InChIKeyLZMOMRVKEFHFBA-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.24
Rot. Bonds3

About 3-(2-methylphenyl)-4-(2-phenylacetyl)piperazin-2-one

3-(2-methylphenyl)-4-(2-phenylacetyl)piperazin-2-one (PubChem CID 110657182) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-(2-methylphenyl)-4-(2-phenylacetyl)piperazin-2-one.

Molecular Properties

Compound Name3-(2-methylphenyl)-4-(2-phenylacetyl)piperazin-2-one
PubChem CID110657182
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name3-(2-methylphenyl)-4-(2-phenylacetyl)piperazin-2-one
SMILESCc1ccccc1C1C(=O)NCCN1C(=O)Cc1ccccc1
InChIInChI=1S/C19H20N2O2/c1-14-7-5-6-10-16(14)18-19(23)20-11-12-21(18)17(22)13-15-8-3-2-4-9-15/h2-10,18H,11-13H2,1H3,(H,20,23)
InChIKeyLZMOMRVKEFHFBA-UHFFFAOYSA-N
XLogP2.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methylphenyl)-4-propanoylpiperazin-2-one
CID 110657143
4-(3,3-dimethylbutanoyl)-3-(2-methylphenyl)piperazin-2-one
CID 110657246
4-(2-methylbenzoyl)-3-(2-methylphenyl)piperazin-2-one
CID 110657157
N,N-diethyl-2-(2-methylphenyl)-3-oxopiperazine-1-carboxamide
CID 110657229
4-[2-(4-chlorophenyl)acetyl]-3-(2-fluorophenyl)piperazin-2-one
CID 110657002
4-(2-bromobenzoyl)-3-(2-methylphenyl)piperazin-2-one
CID 110657163
4-(adamantane-1-carbonyl)-3-(2-methylphenyl)piperazin-2-one
CID 110657233
4-methyl-N-[3-[2-(2-methylphenyl)-3-oxopiperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide
CID 154849349
4-[2-(3,4-dimethoxyphenyl)acetyl]-3-(2-fluorophenyl)piperazin-2-one
CID 110657027
4-[2-(3-methoxyphenyl)acetyl]-3-phenylpiperazin-2-one
CID 110728500
4-[2-(4-fluorophenyl)acetyl]-3-(4-methylphenyl)piperazin-2-one
CID 110420024
4-(3-fluorobenzoyl)-3-(2-methylphenyl)piperazin-2-one
CID 110657161

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-4-(2-phenylacetyl)piperazin-2-one?
The IUPAC name of 3-(2-methylphenyl)-4-(2-phenylacetyl)piperazin-2-one (CID 110657182) is 3-(2-methylphenyl)-4-(2-phenylacetyl)piperazin-2-one.
What is the SMILES notation for 3-(2-methylphenyl)-4-(2-phenylacetyl)piperazin-2-one?
The canonical SMILES for 3-(2-methylphenyl)-4-(2-phenylacetyl)piperazin-2-one is Cc1ccccc1C1C(=O)NCCN1C(=O)Cc1ccccc1.
What is the InChIKey of 3-(2-methylphenyl)-4-(2-phenylacetyl)piperazin-2-one?
The InChIKey is LZMOMRVKEFHFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-14-7-5-6-10-16(14)18-19(23)20-11-12-21(18)17(22)13-15-8-3-2-4-9-15/h2-10,18H,11-13H2,1H3,(H,20,23).
What are the key properties of 3-(2-methylphenyl)-4-(2-phenylacetyl)piperazin-2-one?
3-(2-methylphenyl)-4-(2-phenylacetyl)piperazin-2-one has a molecular weight of 308.38 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-4-(2-phenylacetyl)piperazin-2-one is sourced from PubChem (CID 110657182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).