1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-phenoxyethanone

C21H24N2O5 — CID 1074718

IUPAC1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-phenoxyethanone
SMILESCOc1cc(OC)cc(C(=O)N2CCN(C(=O)COc3ccccc3)CC2)c1
InChIInChI=1S/C21H24N2O5/c1-26-18-12-16(13-19(14-18)27-2)21(25)23-10-8-22(9-11-23)20(24)15-28-17-6-4-3-5-7-17/h3-7,12-14H,8-11,15H2,1-2H3
InChIKeyXNFXCEIYTRGSOY-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.07
Rot. Bonds6

About 1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-phenoxyethanone

1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-phenoxyethanone (PubChem CID 1074718) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is 1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-phenoxyethanone
PubChem CID1074718
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-phenoxyethanone
SMILESCOc1cc(OC)cc(C(=O)N2CCN(C(=O)COc3ccccc3)CC2)c1
InChIInChI=1S/C21H24N2O5/c1-26-18-12-16(13-19(14-18)27-2)21(25)23-10-8-22(9-11-23)20(24)15-28-17-6-4-3-5-7-17/h3-7,12-14H,8-11,15H2,1-2H3
InChIKeyXNFXCEIYTRGSOY-UHFFFAOYSA-N
XLogP2.07
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-phenoxyethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-phenoxyethanone (CID 1074718) is 1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-phenoxyethanone is COc1cc(OC)cc(C(=O)N2CCN(C(=O)COc3ccccc3)CC2)c1.
What is the InChIKey of 1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-phenoxyethanone?
The InChIKey is XNFXCEIYTRGSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-26-18-12-16(13-19(14-18)27-2)21(25)23-10-8-22(9-11-23)20(24)15-28-17-6-4-3-5-7-17/h3-7,12-14H,8-11,15H2,1-2H3.
What are the key properties of 1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-phenoxyethanone?
1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-phenoxyethanone has a molecular weight of 384.43 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 1074718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).