4-(3-ethoxypropanoyl)-1-(4-methylphenyl)piperazin-2-one

C16H22N2O3 — CID 70765820

IUPAC4-(3-ethoxypropanoyl)-1-(4-methylphenyl)piperazin-2-one
SMILESCCOCCC(=O)N1CCN(c2ccc(C)cc2)C(=O)C1
InChIInChI=1S/C16H22N2O3/c1-3-21-11-8-15(19)17-9-10-18(16(20)12-17)14-6-4-13(2)5-7-14/h4-7H,3,8-12H2,1-2H3
InChIKeyLCOBOTFWIWWZHZ-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.60
Rot. Bonds5

About 4-(3-ethoxypropanoyl)-1-(4-methylphenyl)piperazin-2-one

4-(3-ethoxypropanoyl)-1-(4-methylphenyl)piperazin-2-one (PubChem CID 70765820) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-(3-ethoxypropanoyl)-1-(4-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(3-ethoxypropanoyl)-1-(4-methylphenyl)piperazin-2-one
PubChem CID70765820
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-(3-ethoxypropanoyl)-1-(4-methylphenyl)piperazin-2-one
SMILESCCOCCC(=O)N1CCN(c2ccc(C)cc2)C(=O)C1
InChIInChI=1S/C16H22N2O3/c1-3-21-11-8-15(19)17-9-10-18(16(20)12-17)14-6-4-13(2)5-7-14/h4-7H,3,8-12H2,1-2H3
InChIKeyLCOBOTFWIWWZHZ-UHFFFAOYSA-N
XLogP1.60
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one
CID 70741232
1-(4-methylphenyl)-4-(4-phenylmethoxybutanoyl)piperazin-2-one
CID 70727058
4-[1-(2-ethoxyacetyl)piperidine-4-carbonyl]-1-(4-methylphenyl)piperazin-2-one
CID 70765317
1-(4-methylphenyl)-4-[(4S)-4-(4-methylpiperazin-1-yl)pentanoyl]piperazin-2-one
CID 96579737
4-[2-(4-fluorophenoxy)acetyl]-1-(4-methylphenyl)piperazin-2-one
CID 70780139
1-(4-methylphenyl)-4-[(4R)-4-morpholin-4-ylpentanoyl]piperazin-2-one
CID 96573400
4-[2-[(3R)-3-hydroxypiperidin-1-yl]acetyl]-1-(4-methylphenyl)piperazin-2-one
CID 96580689
1-(4-methylphenyl)-4-(2-pyrazin-2-ylacetyl)piperazin-2-one
CID 70743066
4-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-1-(4-methylphenyl)piperazin-2-one
CID 70748846
5-[2-[4-(4-methylphenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione
CID 70736014
4-[(3R)-3-(2-methylimidazol-1-yl)butanoyl]-1-(4-methylphenyl)piperazin-2-one
CID 96574232
1-(4-methylphenyl)-4-(4-methylsulfanylbenzoyl)piperazin-2-one
CID 70756809

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxypropanoyl)-1-(4-methylphenyl)piperazin-2-one?
The IUPAC name of 4-(3-ethoxypropanoyl)-1-(4-methylphenyl)piperazin-2-one (CID 70765820) is 4-(3-ethoxypropanoyl)-1-(4-methylphenyl)piperazin-2-one.
What is the SMILES notation for 4-(3-ethoxypropanoyl)-1-(4-methylphenyl)piperazin-2-one?
The canonical SMILES for 4-(3-ethoxypropanoyl)-1-(4-methylphenyl)piperazin-2-one is CCOCCC(=O)N1CCN(c2ccc(C)cc2)C(=O)C1.
What is the InChIKey of 4-(3-ethoxypropanoyl)-1-(4-methylphenyl)piperazin-2-one?
The InChIKey is LCOBOTFWIWWZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-21-11-8-15(19)17-9-10-18(16(20)12-17)14-6-4-13(2)5-7-14/h4-7H,3,8-12H2,1-2H3.
What are the key properties of 4-(3-ethoxypropanoyl)-1-(4-methylphenyl)piperazin-2-one?
4-(3-ethoxypropanoyl)-1-(4-methylphenyl)piperazin-2-one has a molecular weight of 290.36 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxypropanoyl)-1-(4-methylphenyl)piperazin-2-one is sourced from PubChem (CID 70765820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).