[4-(2-aminobenzoyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone

C20H23N3O4 — CID 119944903

IUPAC[4-(2-aminobenzoyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3ccccc3N)CC2)c(OC)c1
InChIInChI=1S/C20H23N3O4/c1-26-14-7-8-16(18(13-14)27-2)20(25)23-11-9-22(10-12-23)19(24)15-5-3-4-6-17(15)21/h3-8,13H,9-12,21H2,1-2H3
InChIKeyVSVDFJRCYPGKLX-UHFFFAOYSA-N
MW369.42 g/mol
LogP1.88
Rot. Bonds4

About [4-(2-aminobenzoyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone

[4-(2-aminobenzoyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone (PubChem CID 119944903) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is [4-(2-aminobenzoyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(2-aminobenzoyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
PubChem CID119944903
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name[4-(2-aminobenzoyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3ccccc3N)CC2)c(OC)c1
InChIInChI=1S/C20H23N3O4/c1-26-14-7-8-16(18(13-14)27-2)20(25)23-11-9-22(10-12-23)19(24)15-5-3-4-6-17(15)21/h3-8,13H,9-12,21H2,1-2H3
InChIKeyVSVDFJRCYPGKLX-UHFFFAOYSA-N
XLogP1.88
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze [4-(2-aminobenzoyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone 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

(2-aminophenyl)-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 119946117
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 55548173
(2R)-2-amino-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]propan-1-one
CID 119300869
(4-bromopiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 80661673
[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 113077894
(2,4-dimethoxyphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 3148007
ethyl 4-(2,4-dimethoxybenzoyl)-1,4-diazepane-1-carboxylate
CID 110808976
(4-chloropiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 55183156
[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 119300875
(2,4-dimethoxyphenyl)-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110816009
4-(2,4-dimethoxybenzoyl)-N-prop-2-ynylpiperazine-1-carboxamide
CID 51089081
(2,4-dimethoxyphenyl)-[4-(1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110816641

Frequently Asked Questions

What is the IUPAC name of [4-(2-aminobenzoyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone?
The IUPAC name of [4-(2-aminobenzoyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone (CID 119944903) is [4-(2-aminobenzoyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone.
What is the SMILES notation for [4-(2-aminobenzoyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone?
The canonical SMILES for [4-(2-aminobenzoyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone is COc1ccc(C(=O)N2CCN(C(=O)c3ccccc3N)CC2)c(OC)c1.
What is the InChIKey of [4-(2-aminobenzoyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone?
The InChIKey is VSVDFJRCYPGKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-26-14-7-8-16(18(13-14)27-2)20(25)23-11-9-22(10-12-23)19(24)15-5-3-4-6-17(15)21/h3-8,13H,9-12,21H2,1-2H3.
What are the key properties of [4-(2-aminobenzoyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone?
[4-(2-aminobenzoyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone has a molecular weight of 369.42 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminobenzoyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone is sourced from PubChem (CID 119944903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).