[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-phenylmethanone

C20H22N2O3 — CID 31363177

IUPAC[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-phenylmethanone
SMILESCOc1ccc(C)cc1C(=O)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C20H22N2O3/c1-15-8-9-18(25-2)17(14-15)20(24)22-12-10-21(11-13-22)19(23)16-6-4-3-5-7-16/h3-9,14H,10-13H2,1-2H3
InChIKeyUQEBQLFLEUJRHV-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.60
Rot. Bonds3

About [4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-phenylmethanone

[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-phenylmethanone (PubChem CID 31363177) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is [4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-phenylmethanone
PubChem CID31363177
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-phenylmethanone
SMILESCOc1ccc(C)cc1C(=O)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C20H22N2O3/c1-15-8-9-18(25-2)17(14-15)20(24)22-12-10-21(11-13-22)19(23)16-6-4-3-5-7-16/h3-9,14H,10-13H2,1-2H3
InChIKeyUQEBQLFLEUJRHV-UHFFFAOYSA-N
XLogP2.60
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 110814937
(4-chlorophenyl)-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone
CID 110802853
[4-(2,5-dimethoxy-4-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 110802050
(2-fluorophenyl)-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone
CID 33466313
methyl 4-(2-methoxy-5-methylbenzoyl)piperazine-1-carboxylate
CID 110803244
[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-phenylmethanone
CID 8799910
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740
1-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 51211834
4-(2-methoxy-5-methylbenzoyl)-N-phenyl-1,4-diazepane-1-carboxamide
CID 110813373
(4-benzylpiperazin-4-ium-1-yl)-(2-methoxy-5-methylphenyl)methanone
CID 9041611
phenyl-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 1010280
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 39572485

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-phenylmethanone (CID 31363177) is [4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-phenylmethanone is COc1ccc(C)cc1C(=O)N1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of [4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-phenylmethanone?
The InChIKey is UQEBQLFLEUJRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-15-8-9-18(25-2)17(14-15)20(24)22-12-10-21(11-13-22)19(23)16-6-4-3-5-7-16/h3-9,14H,10-13H2,1-2H3.
What are the key properties of [4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-phenylmethanone?
[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-phenylmethanone has a molecular weight of 338.41 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 31363177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).