3-ethyl-4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-2-one

C15H20N2O3 — CID 63602736

IUPAC3-ethyl-4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-2-one
SMILESCCC1C(=O)NCCN1CC(=O)c1ccc(OC)cc1
InChIInChI=1S/C15H20N2O3/c1-3-13-15(19)16-8-9-17(13)10-14(18)11-4-6-12(20-2)7-5-11/h4-7,13H,3,8-10H2,1-2H3,(H,16,19)
InChIKeyWTTOQVLIWXTPMS-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.09
Rot. Bonds5

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

3-ethyl-4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-2-one (PubChem CID 63602736) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-ethyl-4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-2-one
PubChem CID63602736
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-ethyl-4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-2-one
SMILESCCC1C(=O)NCCN1CC(=O)c1ccc(OC)cc1
InChIInChI=1S/C15H20N2O3/c1-3-13-15(19)16-8-9-17(13)10-14(18)11-4-6-12(20-2)7-5-11/h4-7,13H,3,8-10H2,1-2H3,(H,16,19)
InChIKeyWTTOQVLIWXTPMS-UHFFFAOYSA-N
XLogP1.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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-methoxyphenyl)-2-oxoethyl]-3-methylpiperazin-2-one
CID 63607166
2-(2-ethyl-3-oxopiperazin-1-yl)acetic acid
CID 63600273
3-ethyl-4-(2-oxopropyl)piperazin-2-one
CID 63600634
4-[2-(2-ethoxyphenyl)-2-oxoethyl]-3-ethylpiperazin-2-one
CID 63601149
3-ethyl-4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]piperazin-2-one
CID 63601156
methyl 4-[[(2S)-2-ethyl-3-oxopiperazin-1-yl]methyl]benzoate
CID 124545764
4-(3,3-dimethyl-2-oxobutyl)-3-ethylpiperazin-2-one
CID 63600469
2-[1-(4-methoxybenzoyl)-3-oxopiperazin-2-yl]acetic acid
CID 62032410
3-ethyl-4-(2-oxo-3-phenylpropyl)piperazin-2-one
CID 63602203
4-[2-(4-methoxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one
CID 63606471
N-(4-aminophenyl)-2-(2-ethyl-3-oxopiperazin-1-yl)acetamide
CID 63602156
2-(3-ethylmorpholin-4-yl)-1-(4-methoxyphenyl)ethanone
CID 43797594

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-2-one?
The IUPAC name of 3-ethyl-4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-2-one (CID 63602736) is 3-ethyl-4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-2-one?
The canonical SMILES for 3-ethyl-4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-2-one is CCC1C(=O)NCCN1CC(=O)c1ccc(OC)cc1.
What is the InChIKey of 3-ethyl-4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-2-one?
The InChIKey is WTTOQVLIWXTPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-13-15(19)16-8-9-17(13)10-14(18)11-4-6-12(20-2)7-5-11/h4-7,13H,3,8-10H2,1-2H3,(H,16,19).
What are the key properties of 3-ethyl-4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-2-one?
3-ethyl-4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-2-one has a molecular weight of 276.34 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-2-one is sourced from PubChem (CID 63602736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).