[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone

C20H22N2O4 — CID 1074740

IUPAC[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1OC
InChIInChI=1S/C20H22N2O4/c1-25-17-9-8-16(14-18(17)26-2)20(24)22-12-10-21(11-13-22)19(23)15-6-4-3-5-7-15/h3-9,14H,10-13H2,1-2H3
InChIKeyXWHVCOWZALBGTM-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.30
Rot. Bonds4

About [4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone

[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone (PubChem CID 1074740) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is [4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
PubChem CID1074740
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1OC
InChIInChI=1S/C20H22N2O4/c1-25-17-9-8-16(14-18(17)26-2)20(24)22-12-10-21(11-13-22)19(23)15-6-4-3-5-7-15/h3-9,14H,10-13H2,1-2H3
InChIKeyXWHVCOWZALBGTM-UHFFFAOYSA-N
XLogP2.30
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(3,4-dimethoxybenzoyl)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-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 39572485
(4-aminophenyl)-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methanone
CID 108934968
[4-(3-ethyl-4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 110802032
1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethanone
CID 650859
phenyl-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 1010280
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 33003765
[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 108533494
(3,4-dimethoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 22107891
1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 34478048
N-benzyl-4-(3,4-dimethoxybenzoyl)piperazine-1-carboxamide
CID 110365684
1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-phenylbutan-1-one
CID 55545946
[4-(aminomethyl)phenyl]-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119278584

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone (CID 1074740) is [4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone is COc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1OC.
What is the InChIKey of [4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone?
The InChIKey is XWHVCOWZALBGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-25-17-9-8-16(14-18(17)26-2)20(24)22-12-10-21(11-13-22)19(23)15-6-4-3-5-7-15/h3-9,14H,10-13H2,1-2H3.
What are the key properties of [4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone?
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone has a molecular weight of 354.41 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 1074740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).