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

C20H23N3O4 — CID 108934968

IUPAC(4-aminophenyl)-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3ccc(N)cc3)CC2)cc1OC
InChIInChI=1S/C20H23N3O4/c1-26-17-8-5-15(13-18(17)27-2)20(25)23-11-9-22(10-12-23)19(24)14-3-6-16(21)7-4-14/h3-8,13H,9-12,21H2,1-2H3
InChIKeyMKYSIANNSLPTLU-UHFFFAOYSA-N
MW369.42 g/mol
LogP1.88
Rot. Bonds4

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

(4-aminophenyl)-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methanone (PubChem CID 108934968) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is (4-aminophenyl)-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-aminophenyl)-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methanone
PubChem CID108934968
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name(4-aminophenyl)-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3ccc(N)cc3)CC2)cc1OC
InChIInChI=1S/C20H23N3O4/c1-26-17-8-5-15(13-18(17)27-2)20(25)23-11-9-22(10-12-23)19(24)14-3-6-16(21)7-4-14/h3-8,13H,9-12,21H2,1-2H3
InChIKeyMKYSIANNSLPTLU-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-aminophenyl)-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]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

[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 39572485
[4-(aminomethyl)phenyl]-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119278584
[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 108533494
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 33003765
(3,4-dimethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818753
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
(3,4-dimethoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 21209978
[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-(4-ethoxyphenyl)methanone
CID 108543772
2-amino-5-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]benzoic acid
CID 139774630
2-[4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-2-methoxyphenoxy]acetamide
CID 32771644
(3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 110725273

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methanone?
The IUPAC name of (4-aminophenyl)-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methanone (CID 108934968) is (4-aminophenyl)-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-aminophenyl)-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-aminophenyl)-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methanone is COc1ccc(C(=O)N2CCN(C(=O)c3ccc(N)cc3)CC2)cc1OC.
What is the InChIKey of (4-aminophenyl)-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methanone?
The InChIKey is MKYSIANNSLPTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-26-17-8-5-15(13-18(17)27-2)20(25)23-11-9-22(10-12-23)19(24)14-3-6-16(21)7-4-14/h3-8,13H,9-12,21H2,1-2H3.
What are the key properties of (4-aminophenyl)-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methanone?
(4-aminophenyl)-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]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-aminophenyl)-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 108934968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).