4-[2-(2-hydroxyphenoxy)acetyl]-3-methylpiperazin-2-one

C13H16N2O4 — CID 63606388

IUPAC4-[2-(2-hydroxyphenoxy)acetyl]-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)COc1ccccc1O
InChIInChI=1S/C13H16N2O4/c1-9-13(18)14-6-7-15(9)12(17)8-19-11-5-3-2-4-10(11)16/h2-5,9,16H,6-8H2,1H3,(H,14,18)
InChIKeyJHAAFGYDRQZMSA-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.12
Rot. Bonds3

About 4-[2-(2-hydroxyphenoxy)acetyl]-3-methylpiperazin-2-one

4-[2-(2-hydroxyphenoxy)acetyl]-3-methylpiperazin-2-one (PubChem CID 63606388) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-[2-(2-hydroxyphenoxy)acetyl]-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(2-hydroxyphenoxy)acetyl]-3-methylpiperazin-2-one
PubChem CID63606388
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name4-[2-(2-hydroxyphenoxy)acetyl]-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)COc1ccccc1O
InChIInChI=1S/C13H16N2O4/c1-9-13(18)14-6-7-15(9)12(17)8-19-11-5-3-2-4-10(11)16/h2-5,9,16H,6-8H2,1H3,(H,14,18)
InChIKeyJHAAFGYDRQZMSA-UHFFFAOYSA-N
XLogP0.12
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2-aminophenoxy)acetyl]-3-methylpiperazin-2-one
CID 55217652
3-methyl-4-(2-phenoxyacetyl)piperazin-2-one
CID 63079192
3-methyl-4-(2-quinolin-4-yloxyacetyl)piperazin-2-one
CID 141330643
4-[2-(4-ethoxyphenoxy)acetyl]-3-methylpiperazin-2-one
CID 63373690
3-methyl-4-[2-(4-methylphenoxy)acetyl]piperazin-2-one
CID 63078352
4-[3-(2-aminophenoxy)propanoyl]-3-methylpiperazin-2-one
CID 63595747
3-methyl-4-(2-prop-2-enoxybenzoyl)piperazin-2-one
CID 63606558
4-(3-hydroxypyridine-2-carbonyl)-3-methylpiperazin-2-one
CID 63607605
methyl 2-[3-oxo-1-[2-(2-propoxyphenoxy)acetyl]piperazin-2-yl]acetate
CID 47005060
(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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-hydroxyphenoxy)acetyl]-3-methylpiperazin-2-one?
The IUPAC name of 4-[2-(2-hydroxyphenoxy)acetyl]-3-methylpiperazin-2-one (CID 63606388) is 4-[2-(2-hydroxyphenoxy)acetyl]-3-methylpiperazin-2-one.
What is the SMILES notation for 4-[2-(2-hydroxyphenoxy)acetyl]-3-methylpiperazin-2-one?
The canonical SMILES for 4-[2-(2-hydroxyphenoxy)acetyl]-3-methylpiperazin-2-one is CC1C(=O)NCCN1C(=O)COc1ccccc1O.
What is the InChIKey of 4-[2-(2-hydroxyphenoxy)acetyl]-3-methylpiperazin-2-one?
The InChIKey is JHAAFGYDRQZMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-9-13(18)14-6-7-15(9)12(17)8-19-11-5-3-2-4-10(11)16/h2-5,9,16H,6-8H2,1H3,(H,14,18).
What are the key properties of 4-[2-(2-hydroxyphenoxy)acetyl]-3-methylpiperazin-2-one?
4-[2-(2-hydroxyphenoxy)acetyl]-3-methylpiperazin-2-one has a molecular weight of 264.28 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-hydroxyphenoxy)acetyl]-3-methylpiperazin-2-one is sourced from PubChem (CID 63606388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).