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

C13H17N3O3 — CID 55217652

IUPAC4-[2-(2-aminophenoxy)acetyl]-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)COc1ccccc1N
InChIInChI=1S/C13H17N3O3/c1-9-13(18)15-6-7-16(9)12(17)8-19-11-5-3-2-4-10(11)14/h2-5,9H,6-8,14H2,1H3,(H,15,18)
InChIKeyUDZYTJVRAQNXOT-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.01
Rot. Bonds3

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

4-[2-(2-aminophenoxy)acetyl]-3-methylpiperazin-2-one (PubChem CID 55217652) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-[2-(2-aminophenoxy)acetyl]-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(2-aminophenoxy)acetyl]-3-methylpiperazin-2-one
PubChem CID55217652
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name4-[2-(2-aminophenoxy)acetyl]-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)COc1ccccc1N
InChIInChI=1S/C13H17N3O3/c1-9-13(18)15-6-7-16(9)12(17)8-19-11-5-3-2-4-10(11)14/h2-5,9H,6-8,14H2,1H3,(H,15,18)
InChIKeyUDZYTJVRAQNXOT-UHFFFAOYSA-N
XLogP-0.01
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[3-(2-aminophenoxy)propanoyl]-3-methylpiperazin-2-one
CID 63595747
4-[2-(2-hydroxyphenoxy)acetyl]-3-methylpiperazin-2-one
CID 63606388
3-methyl-4-(2-phenoxyacetyl)piperazin-2-one
CID 63079192
3-methyl-4-(2-quinolin-4-yloxyacetyl)piperazin-2-one
CID 141330643
3-methyl-4-[2-(4-methylphenoxy)acetyl]piperazin-2-one
CID 63078352
4-[2-(4-ethoxyphenoxy)acetyl]-3-methylpiperazin-2-one
CID 63373690
2-(2-aminophenoxy)-1-piperazin-1-ylethanone
CID 82510509
(3R)-4-[4-(benzenesulfonyl)butanoyl]-3-methylpiperazin-2-one
CID 25283999
methyl 2-[3-oxo-1-[2-(2-propoxyphenoxy)acetyl]piperazin-2-yl]acetate
CID 47005060
benzyl (2S)-2-methyl-3-oxopiperazine-1-carboxylate
CID 54227046
benzyl (2R)-2-methyl-3-oxopiperazine-1-carboxylate
CID 72699156
2-(2-aminophenoxy)-1-(2,5-dimethylmorpholin-4-yl)ethanone
CID 43544132

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-aminophenoxy)acetyl]-3-methylpiperazin-2-one?
The IUPAC name of 4-[2-(2-aminophenoxy)acetyl]-3-methylpiperazin-2-one (CID 55217652) is 4-[2-(2-aminophenoxy)acetyl]-3-methylpiperazin-2-one.
What is the SMILES notation for 4-[2-(2-aminophenoxy)acetyl]-3-methylpiperazin-2-one?
The canonical SMILES for 4-[2-(2-aminophenoxy)acetyl]-3-methylpiperazin-2-one is CC1C(=O)NCCN1C(=O)COc1ccccc1N.
What is the InChIKey of 4-[2-(2-aminophenoxy)acetyl]-3-methylpiperazin-2-one?
The InChIKey is UDZYTJVRAQNXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-9-13(18)15-6-7-16(9)12(17)8-19-11-5-3-2-4-10(11)14/h2-5,9H,6-8,14H2,1H3,(H,15,18).
What are the key properties of 4-[2-(2-aminophenoxy)acetyl]-3-methylpiperazin-2-one?
4-[2-(2-aminophenoxy)acetyl]-3-methylpiperazin-2-one has a molecular weight of 263.30 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-aminophenoxy)acetyl]-3-methylpiperazin-2-one is sourced from PubChem (CID 55217652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).