4-[2-(4-ethoxyphenyl)acetyl]-1,3-dimethylpiperazin-2-one

C16H22N2O3 — CID 110741176

IUPAC4-[2-(4-ethoxyphenyl)acetyl]-1,3-dimethylpiperazin-2-one
SMILESCCOc1ccc(CC(=O)N2CCN(C)C(=O)C2C)cc1
InChIInChI=1S/C16H22N2O3/c1-4-21-14-7-5-13(6-8-14)11-15(19)18-10-9-17(3)16(20)12(18)2/h5-8,12H,4,9-11H2,1-3H3
InChIKeyNFXWDLQZJPMKHI-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.32
Rot. Bonds4

About 4-[2-(4-ethoxyphenyl)acetyl]-1,3-dimethylpiperazin-2-one

4-[2-(4-ethoxyphenyl)acetyl]-1,3-dimethylpiperazin-2-one (PubChem CID 110741176) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-[2-(4-ethoxyphenyl)acetyl]-1,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(4-ethoxyphenyl)acetyl]-1,3-dimethylpiperazin-2-one
PubChem CID110741176
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-[2-(4-ethoxyphenyl)acetyl]-1,3-dimethylpiperazin-2-one
SMILESCCOc1ccc(CC(=O)N2CCN(C)C(=O)C2C)cc1
InChIInChI=1S/C16H22N2O3/c1-4-21-14-7-5-13(6-8-14)11-15(19)18-10-9-17(3)16(20)12(18)2/h5-8,12H,4,9-11H2,1-3H3
InChIKeyNFXWDLQZJPMKHI-UHFFFAOYSA-N
XLogP1.32
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-bromophenyl)acetyl]-1,3-dimethylpiperazin-2-one
CID 110708285
1-(4-ethoxyphenyl)-3-methyl-4-(2-phenylacetyl)piperazin-2-one
CID 46036035
(3R)-4-[2-(4-ethoxyphenyl)acetyl]-3-methyl-1,4-diazepan-2-one
CID 99791509
1-(3-ethoxyphenyl)-3-methyl-4-(2-phenylacetyl)piperazin-2-one
CID 46036227
1-(2,3-dimethylpiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone;hydrochloride
CID 120569760
2-(4-ethoxyphenyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 61408770
4-[2-(1H-indazol-5-yl)acetyl]-1,3-dimethylpiperazin-2-one
CID 139007551
1-(4-aminopiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone
CID 82365897
2-(4-ethoxyphenyl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 60742792
4-[2-(4-ethoxyphenyl)acetyl]thiomorpholine-3-carboxylic acid
CID 78979759
ethyl 4-[2-(4-ethoxyphenyl)acetyl]piperazine-1-carboxylate
CID 78784884
1-[2-(4-ethoxyphenyl)acetyl]piperidine-4-carboxylic acid
CID 43238969

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-ethoxyphenyl)acetyl]-1,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[2-(4-ethoxyphenyl)acetyl]-1,3-dimethylpiperazin-2-one (CID 110741176) is 4-[2-(4-ethoxyphenyl)acetyl]-1,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[2-(4-ethoxyphenyl)acetyl]-1,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[2-(4-ethoxyphenyl)acetyl]-1,3-dimethylpiperazin-2-one is CCOc1ccc(CC(=O)N2CCN(C)C(=O)C2C)cc1.
What is the InChIKey of 4-[2-(4-ethoxyphenyl)acetyl]-1,3-dimethylpiperazin-2-one?
The InChIKey is NFXWDLQZJPMKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-21-14-7-5-13(6-8-14)11-15(19)18-10-9-17(3)16(20)12(18)2/h5-8,12H,4,9-11H2,1-3H3.
What are the key properties of 4-[2-(4-ethoxyphenyl)acetyl]-1,3-dimethylpiperazin-2-one?
4-[2-(4-ethoxyphenyl)acetyl]-1,3-dimethylpiperazin-2-one has a molecular weight of 290.36 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-ethoxyphenyl)acetyl]-1,3-dimethylpiperazin-2-one is sourced from PubChem (CID 110741176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).