4-[2-(2-methoxyphenoxy)acetyl]-3,3-dimethylpiperazin-2-one

C15H20N2O4 — CID 63362344

IUPAC4-[2-(2-methoxyphenoxy)acetyl]-3,3-dimethylpiperazin-2-one
SMILESCOc1ccccc1OCC(=O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C15H20N2O4/c1-15(2)14(19)16-8-9-17(15)13(18)10-21-12-7-5-4-6-11(12)20-3/h4-7H,8-10H2,1-3H3,(H,16,19)
InChIKeyLMQRMEFPBVUTHU-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.81
Rot. Bonds4

About 4-[2-(2-methoxyphenoxy)acetyl]-3,3-dimethylpiperazin-2-one

4-[2-(2-methoxyphenoxy)acetyl]-3,3-dimethylpiperazin-2-one (PubChem CID 63362344) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-[2-(2-methoxyphenoxy)acetyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(2-methoxyphenoxy)acetyl]-3,3-dimethylpiperazin-2-one
PubChem CID63362344
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name4-[2-(2-methoxyphenoxy)acetyl]-3,3-dimethylpiperazin-2-one
SMILESCOc1ccccc1OCC(=O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C15H20N2O4/c1-15(2)14(19)16-8-9-17(15)13(18)10-21-12-7-5-4-6-11(12)20-3/h4-7H,8-10H2,1-3H3,(H,16,19)
InChIKeyLMQRMEFPBVUTHU-UHFFFAOYSA-N
XLogP0.81
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2-fluorophenoxy)acetyl]-3,3-dimethylpiperazin-2-one
CID 63362347
4-[2-(2,4-dimethylphenoxy)acetyl]-3,3-dimethylpiperazin-2-one
CID 63362376
4-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethoxy]benzonitrile
CID 63362385
4-[2-(2-methoxyethoxy)acetyl]-3,3-dimethylpiperazin-2-one
CID 63607388
3,3-dimethyl-4-(3,4,5-trimethoxybenzoyl)piperazin-2-one
CID 16863762
3,3-dimethyl-4-[3-(2-methylphenyl)propanoyl]piperazin-2-one
CID 63605872
4-(4-fluoro-3-methoxybenzoyl)-3,3-dimethylpiperazin-2-one
CID 81005031
3-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-oxopropanoic acid
CID 63600580
3,3-dimethyl-4-(2-methylsulfanylacetyl)piperazin-2-one
CID 63606717
4-(2-methoxy-5-methylbenzoyl)-3,3-dimethylpiperazin-2-one
CID 63608428
4-(2,5-dimethoxybenzoyl)-3,3-dimethylpiperazin-2-one
CID 16863923
4-[2-(4-hydroxyphenyl)acetyl]-3,3-dimethylpiperazin-2-one
CID 63608438

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyphenoxy)acetyl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[2-(2-methoxyphenoxy)acetyl]-3,3-dimethylpiperazin-2-one (CID 63362344) is 4-[2-(2-methoxyphenoxy)acetyl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[2-(2-methoxyphenoxy)acetyl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[2-(2-methoxyphenoxy)acetyl]-3,3-dimethylpiperazin-2-one is COc1ccccc1OCC(=O)N1CCNC(=O)C1(C)C.
What is the InChIKey of 4-[2-(2-methoxyphenoxy)acetyl]-3,3-dimethylpiperazin-2-one?
The InChIKey is LMQRMEFPBVUTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-15(2)14(19)16-8-9-17(15)13(18)10-21-12-7-5-4-6-11(12)20-3/h4-7H,8-10H2,1-3H3,(H,16,19).
What are the key properties of 4-[2-(2-methoxyphenoxy)acetyl]-3,3-dimethylpiperazin-2-one?
4-[2-(2-methoxyphenoxy)acetyl]-3,3-dimethylpiperazin-2-one has a molecular weight of 292.33 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyphenoxy)acetyl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 63362344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).