1-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-phenylethanone

C20H22N2O3 — CID 695003

IUPAC1-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-phenylethanone
SMILESO=C(COc1ccccc1)N1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C20H22N2O3/c23-19(15-17-7-3-1-4-8-17)21-11-13-22(14-12-21)20(24)16-25-18-9-5-2-6-10-18/h1-10H,11-16H2
InChIKeyIHQWZWKAOKRICF-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.98
Rot. Bonds5

About 1-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-phenylethanone

1-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-phenylethanone (PubChem CID 695003) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-phenylethanone
PubChem CID695003
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name1-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-phenylethanone
SMILESO=C(COc1ccccc1)N1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C20H22N2O3/c23-19(15-17-7-3-1-4-8-17)21-11-13-22(14-12-21)20(24)16-25-18-9-5-2-6-10-18/h1-10H,11-16H2
InChIKeyIHQWZWKAOKRICF-UHFFFAOYSA-N
XLogP1.98
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-phenylethanone 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

1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
1-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-phenylethanone;oxalic acid
CID 171154693
1-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 48867817
4-(2-phenylacetyl)piperazine-1-carboxamide
CID 21469263
2-phenoxy-1-[4-[2-(4-propylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108535883
1-[4-[2-(3-fluorophenoxy)acetyl]piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 110818928
ethyl 4-(2-phenoxyacetyl)piperazine-1-carboxylate
CID 807888
1-[4-[[2-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]-2-phenoxyethanone
CID 46998642
1-[4-[2-(4-ethoxyphenyl)acetyl]-1,4-diazepan-1-yl]-2-phenylethanone
CID 108545578
1-[4-[2-(4-ethoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 108547166
1-(6-azaspiro[2.5]octan-6-yl)-2-phenoxyethanone
CID 97399323
1-(azetidin-1-yl)-2-(4-phenoxyphenoxy)ethanone
CID 47018240

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-phenylethanone (CID 695003) is 1-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-phenylethanone is O=C(COc1ccccc1)N1CCN(C(=O)Cc2ccccc2)CC1.
What is the InChIKey of 1-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-phenylethanone?
The InChIKey is IHQWZWKAOKRICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-19(15-17-7-3-1-4-8-17)21-11-13-22(14-12-21)20(24)16-25-18-9-5-2-6-10-18/h1-10H,11-16H2.
What are the key properties of 1-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-phenylethanone?
1-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-phenylethanone has a molecular weight of 338.41 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 695003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).