4-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methylpiperazin-2-one

C14H18N2O3 — CID 63607166

IUPAC4-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methylpiperazin-2-one
SMILESCOc1ccc(C(=O)CN2CCNC(=O)C2C)cc1
InChIInChI=1S/C14H18N2O3/c1-10-14(18)15-7-8-16(10)9-13(17)11-3-5-12(19-2)6-4-11/h3-6,10H,7-9H2,1-2H3,(H,15,18)
InChIKeyQVTUZMPJGFOWKK-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.70
Rot. Bonds4

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

4-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methylpiperazin-2-one (PubChem CID 63607166) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methylpiperazin-2-one
PubChem CID63607166
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name4-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methylpiperazin-2-one
SMILESCOc1ccc(C(=O)CN2CCNC(=O)C2C)cc1
InChIInChI=1S/C14H18N2O3/c1-10-14(18)15-7-8-16(10)9-13(17)11-3-5-12(19-2)6-4-11/h3-6,10H,7-9H2,1-2H3,(H,15,18)
InChIKeyQVTUZMPJGFOWKK-UHFFFAOYSA-N
XLogP0.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-2-one
CID 63602736
3-methyl-4-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]piperazin-2-one
CID 63607695
4-[2-(4-methoxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one
CID 63606471
2-(2-methyl-3-oxopiperazin-1-yl)acetohydrazide
CID 63607560
2-[1-(4-methoxybenzoyl)-3-oxopiperazin-2-yl]acetic acid
CID 62032410
2-(2-methyl-3-oxopiperazin-1-yl)ethanethioamide
CID 63596493
ethyl 4-(2-methyl-3-oxopiperazin-1-yl)-3-oxobutanoate
CID 63897377
4-(4-methoxybenzoyl)-3-propan-2-ylpiperazin-2-one
CID 110873327
1-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-5-(4-methoxyphenyl)pentane-1,5-dione
CID 110426013
2-(3-hydroxyazetidin-1-yl)-1-(4-methoxyphenyl)ethanone
CID 121200224
3-methyl-4-(2-methyl-3-oxopiperazin-1-yl)but-2-enoic acid
CID 77006338
2-(3-ethylmorpholin-4-yl)-1-(4-methoxyphenyl)ethanone
CID 43797594

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methylpiperazin-2-one?
The IUPAC name of 4-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methylpiperazin-2-one (CID 63607166) is 4-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methylpiperazin-2-one.
What is the SMILES notation for 4-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methylpiperazin-2-one?
The canonical SMILES for 4-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methylpiperazin-2-one is COc1ccc(C(=O)CN2CCNC(=O)C2C)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methylpiperazin-2-one?
The InChIKey is QVTUZMPJGFOWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10-14(18)15-7-8-16(10)9-13(17)11-3-5-12(19-2)6-4-11/h3-6,10H,7-9H2,1-2H3,(H,15,18).
What are the key properties of 4-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methylpiperazin-2-one?
4-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methylpiperazin-2-one has a molecular weight of 262.31 g/mol, XLogP of 0.70, 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-methylpiperazin-2-one is sourced from PubChem (CID 63607166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).