3-methyl-4-(2-phenoxyacetyl)piperazin-2-one

C13H16N2O3 — CID 63079192

IUPAC3-methyl-4-(2-phenoxyacetyl)piperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)COc1ccccc1
InChIInChI=1S/C13H16N2O3/c1-10-13(17)14-7-8-15(10)12(16)9-18-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,14,17)
InChIKeyLRFIYZCOXAGASL-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.41
Rot. Bonds3

About 3-methyl-4-(2-phenoxyacetyl)piperazin-2-one

3-methyl-4-(2-phenoxyacetyl)piperazin-2-one (PubChem CID 63079192) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-methyl-4-(2-phenoxyacetyl)piperazin-2-one.

Molecular Properties

Compound Name3-methyl-4-(2-phenoxyacetyl)piperazin-2-one
PubChem CID63079192
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name3-methyl-4-(2-phenoxyacetyl)piperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)COc1ccccc1
InChIInChI=1S/C13H16N2O3/c1-10-13(17)14-7-8-15(10)12(16)9-18-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,14,17)
InChIKeyLRFIYZCOXAGASL-UHFFFAOYSA-N
XLogP0.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-ethoxyphenoxy)acetyl]-3-methylpiperazin-2-one
CID 63373690
3-methyl-4-[2-(4-methylphenoxy)acetyl]piperazin-2-one
CID 63078352
4-[2-(2-hydroxyphenoxy)acetyl]-3-methylpiperazin-2-one
CID 63606388
4-[2-(2-aminophenoxy)acetyl]-3-methylpiperazin-2-one
CID 55217652
3-methyl-4-(2-quinolin-4-yloxyacetyl)piperazin-2-one
CID 141330643
4-[3-(2-aminophenoxy)propanoyl]-3-methylpiperazin-2-one
CID 63595747
(3R)-4-[4-(benzenesulfonyl)butanoyl]-3-methylpiperazin-2-one
CID 25283999
benzyl (2S)-2-methyl-3-oxopiperazine-1-carboxylate
CID 54227046
benzyl (2R)-2-methyl-3-oxopiperazine-1-carboxylate
CID 72699156
1-(2-methoxyacetyl)-4-(2-phenoxyacetyl)-3,5,6,7,8a,9,10,11,12,12a-decahydro-2H-benzo[h][1,4,7]triazecin-8-one
CID 156612266
methyl 2-[3-oxo-1-[2-(4-phenylmethoxyphenoxy)acetyl]piperazin-2-yl]acetate
CID 47005065
4-[3-(2-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]benzoic acid
CID 119183130

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-phenoxyacetyl)piperazin-2-one?
The IUPAC name of 3-methyl-4-(2-phenoxyacetyl)piperazin-2-one (CID 63079192) is 3-methyl-4-(2-phenoxyacetyl)piperazin-2-one.
What is the SMILES notation for 3-methyl-4-(2-phenoxyacetyl)piperazin-2-one?
The canonical SMILES for 3-methyl-4-(2-phenoxyacetyl)piperazin-2-one is CC1C(=O)NCCN1C(=O)COc1ccccc1.
What is the InChIKey of 3-methyl-4-(2-phenoxyacetyl)piperazin-2-one?
The InChIKey is LRFIYZCOXAGASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-10-13(17)14-7-8-15(10)12(16)9-18-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,14,17).
What are the key properties of 3-methyl-4-(2-phenoxyacetyl)piperazin-2-one?
3-methyl-4-(2-phenoxyacetyl)piperazin-2-one has a molecular weight of 248.28 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-phenoxyacetyl)piperazin-2-one is sourced from PubChem (CID 63079192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).