2-phenoxy-1-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone

C20H22N2O4 — CID 1008511

IUPAC2-phenoxy-1-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone
SMILESO=C(COc1ccccc1)N1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C20H22N2O4/c23-19(15-25-17-7-3-1-4-8-17)21-11-13-22(14-12-21)20(24)16-26-18-9-5-2-6-10-18/h1-10H,11-16H2
InChIKeyCDQDCIXXBFSRJQ-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.82
Rot. Bonds6

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

2-phenoxy-1-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone (PubChem CID 1008511) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-phenoxy-1-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-phenoxy-1-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone
PubChem CID1008511
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name2-phenoxy-1-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone
SMILESO=C(COc1ccccc1)N1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C20H22N2O4/c23-19(15-25-17-7-3-1-4-8-17)21-11-13-22(14-12-21)20(24)16-26-18-9-5-2-6-10-18/h1-10H,11-16H2
InChIKeyCDQDCIXXBFSRJQ-UHFFFAOYSA-N
XLogP1.82
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-phenoxy-1-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone (CID 1008511) is 2-phenoxy-1-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-phenoxy-1-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-phenoxy-1-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone is O=C(COc1ccccc1)N1CCN(C(=O)COc2ccccc2)CC1.
What is the InChIKey of 2-phenoxy-1-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone?
The InChIKey is CDQDCIXXBFSRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c23-19(15-25-17-7-3-1-4-8-17)21-11-13-22(14-12-21)20(24)16-26-18-9-5-2-6-10-18/h1-10H,11-16H2.
What are the key properties of 2-phenoxy-1-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone?
2-phenoxy-1-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone has a molecular weight of 354.41 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 1008511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).