4-(2-phenoxyacetyl)-1-propan-2-ylpiperazin-2-one

C15H20N2O3 — CID 110708995

IUPAC4-(2-phenoxyacetyl)-1-propan-2-ylpiperazin-2-one
SMILESCC(C)N1CCN(C(=O)COc2ccccc2)CC1=O
InChIInChI=1S/C15H20N2O3/c1-12(2)17-9-8-16(10-14(17)18)15(19)11-20-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3
InChIKeyIKAIGYHSGHOZDD-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.14
Rot. Bonds4

About 4-(2-phenoxyacetyl)-1-propan-2-ylpiperazin-2-one

4-(2-phenoxyacetyl)-1-propan-2-ylpiperazin-2-one (PubChem CID 110708995) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-(2-phenoxyacetyl)-1-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-phenoxyacetyl)-1-propan-2-ylpiperazin-2-one
PubChem CID110708995
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name4-(2-phenoxyacetyl)-1-propan-2-ylpiperazin-2-one
SMILESCC(C)N1CCN(C(=O)COc2ccccc2)CC1=O
InChIInChI=1S/C15H20N2O3/c1-12(2)17-9-8-16(10-14(17)18)15(19)11-20-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3
InChIKeyIKAIGYHSGHOZDD-UHFFFAOYSA-N
XLogP1.14
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-methylphenoxy)acetyl]-1-propan-2-ylpiperazin-2-one
CID 110709007
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
4-[4-(2-phenoxyacetyl)-1,4-diazepane-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 108546365
1-[4-(3-methylbutyl)piperazin-1-yl]-2-phenoxyethanone
CID 47043100
(2R)-4-(2-phenoxyacetyl)-1-propan-2-ylpiperazine-2-carboxamide
CID 124999111
4-[2-(4-chlorophenoxy)acetyl]-1-phenylpiperazin-2-one
CID 70710000
ethyl 4-(2-phenoxyacetyl)piperazine-1-carboxylate
CID 807888
1-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-phenylethanone
CID 695003
2-phenoxy-1-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]ethanone
CID 113077730
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-phenoxyethanone
CID 670243
2-phenoxy-1-[4-[2-(4-propylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108535883
tert-butyl 4-(2-phenoxyacetyl)piperazine-1-carboxylate
CID 66847563

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenoxyacetyl)-1-propan-2-ylpiperazin-2-one?
The IUPAC name of 4-(2-phenoxyacetyl)-1-propan-2-ylpiperazin-2-one (CID 110708995) is 4-(2-phenoxyacetyl)-1-propan-2-ylpiperazin-2-one.
What is the SMILES notation for 4-(2-phenoxyacetyl)-1-propan-2-ylpiperazin-2-one?
The canonical SMILES for 4-(2-phenoxyacetyl)-1-propan-2-ylpiperazin-2-one is CC(C)N1CCN(C(=O)COc2ccccc2)CC1=O.
What is the InChIKey of 4-(2-phenoxyacetyl)-1-propan-2-ylpiperazin-2-one?
The InChIKey is IKAIGYHSGHOZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-12(2)17-9-8-16(10-14(17)18)15(19)11-20-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3.
What are the key properties of 4-(2-phenoxyacetyl)-1-propan-2-ylpiperazin-2-one?
4-(2-phenoxyacetyl)-1-propan-2-ylpiperazin-2-one has a molecular weight of 276.34 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenoxyacetyl)-1-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 110708995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).