4-[2-(4-methoxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one

C15H20N2O3 — CID 63606471

IUPAC4-[2-(4-methoxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one
SMILESCOc1ccc(C(=O)CN2CCNC(=O)C2(C)C)cc1
InChIInChI=1S/C15H20N2O3/c1-15(2)14(19)16-8-9-17(15)10-13(18)11-4-6-12(20-3)7-5-11/h4-7H,8-10H2,1-3H3,(H,16,19)
InChIKeyFZCQPYDHIQUFHM-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.09
Rot. Bonds4

About 4-[2-(4-methoxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one

4-[2-(4-methoxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one (PubChem CID 63606471) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(4-methoxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one
PubChem CID63606471
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name4-[2-(4-methoxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one
SMILESCOc1ccc(C(=O)CN2CCNC(=O)C2(C)C)cc1
InChIInChI=1S/C15H20N2O3/c1-15(2)14(19)16-8-9-17(15)10-13(18)11-4-6-12(20-3)7-5-11/h4-7H,8-10H2,1-3H3,(H,16,19)
InChIKeyFZCQPYDHIQUFHM-UHFFFAOYSA-N
XLogP1.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-hydroxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one
CID 63605973
3,3-dimethyl-4-phenacylpiperazin-2-one
CID 55217276
4-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one
CID 63608368
4-(4-methoxybenzoyl)-3,3-dimethylpiperazin-2-one
CID 16863757
4-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methylpiperazin-2-one
CID 63607166
3-ethyl-4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-2-one
CID 63602736
4-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one
CID 63606819
4-[3-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-hydroxypropoxy]benzoic acid
CID 154763088
4-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one
CID 63606818
3,3-dimethyl-4-(4-propanoylphenyl)piperazin-2-one
CID 114065828
4-[3-(4-methoxyphenyl)sulfonylpropanoyl]-3,3-dimethylpiperazin-2-one
CID 16863885
ethyl 4-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-oxobutanoate
CID 63897376

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[2-(4-methoxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one (CID 63606471) is 4-[2-(4-methoxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[2-(4-methoxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[2-(4-methoxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one is COc1ccc(C(=O)CN2CCNC(=O)C2(C)C)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one?
The InChIKey is FZCQPYDHIQUFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-15(2)14(19)16-8-9-17(15)10-13(18)11-4-6-12(20-3)7-5-11/h4-7H,8-10H2,1-3H3,(H,16,19).
What are the key properties of 4-[2-(4-methoxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one?
4-[2-(4-methoxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one has a molecular weight of 276.34 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 63606471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).