3-ethyl-4-(2-propanoylphenyl)piperazin-2-one

C15H20N2O2 — CID 112677437

IUPAC3-ethyl-4-(2-propanoylphenyl)piperazin-2-one
SMILESCCC(=O)c1ccccc1N1CCNC(=O)C1CC
InChIInChI=1S/C15H20N2O2/c1-3-12-15(19)16-9-10-17(12)13-8-6-5-7-11(13)14(18)4-2/h5-8,12H,3-4,9-10H2,1-2H3,(H,16,19)
InChIKeyHEQOMPNTEOVEMP-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.99
Rot. Bonds4

About 3-ethyl-4-(2-propanoylphenyl)piperazin-2-one

3-ethyl-4-(2-propanoylphenyl)piperazin-2-one (PubChem CID 112677437) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-ethyl-4-(2-propanoylphenyl)piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-(2-propanoylphenyl)piperazin-2-one
PubChem CID112677437
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-ethyl-4-(2-propanoylphenyl)piperazin-2-one
SMILESCCC(=O)c1ccccc1N1CCNC(=O)C1CC
InChIInChI=1S/C15H20N2O2/c1-3-12-15(19)16-9-10-17(12)13-8-6-5-7-11(13)14(18)4-2/h5-8,12H,3-4,9-10H2,1-2H3,(H,16,19)
InChIKeyHEQOMPNTEOVEMP-UHFFFAOYSA-N
XLogP1.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(2-ethyl-3-oxopiperazin-1-yl)benzamide
CID 113332983
4-[2-(1-aminoethyl)phenyl]-3-ethylpiperazin-2-one
CID 63601313
3-ethyl-4-(2-methylbenzoyl)piperazin-2-one
CID 63601884
3-ethyl-4-[2-(methylamino)benzoyl]piperazin-2-one
CID 63604913
4-[2-(1-aminopropyl)phenyl]-3-ethylpiperazin-2-one
CID 112678134
4-(2-amino-3-pyridinyl)-3-ethylpiperazin-2-one
CID 104540385
4-(2-propanoylphenyl)piperazin-2-one
CID 112677272
2-(2-ethyl-3-oxopiperazin-1-yl)-6-fluorobenzenecarbothioamide
CID 79519495
2-(2-ethyl-3-oxopiperazin-1-yl)-5-fluorobenzaldehyde
CID 55217306
4-(4-acetyl-2-fluorophenyl)-3-ethylpiperazin-2-one
CID 55216726
1-(2-piperazin-1-ylphenyl)propan-1-one
CID 139690573
3-ethyl-4-[2-[(2-methoxyethylamino)methyl]phenyl]piperazin-2-one
CID 63602572

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(2-propanoylphenyl)piperazin-2-one?
The IUPAC name of 3-ethyl-4-(2-propanoylphenyl)piperazin-2-one (CID 112677437) is 3-ethyl-4-(2-propanoylphenyl)piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-(2-propanoylphenyl)piperazin-2-one?
The canonical SMILES for 3-ethyl-4-(2-propanoylphenyl)piperazin-2-one is CCC(=O)c1ccccc1N1CCNC(=O)C1CC.
What is the InChIKey of 3-ethyl-4-(2-propanoylphenyl)piperazin-2-one?
The InChIKey is HEQOMPNTEOVEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-12-15(19)16-9-10-17(12)13-8-6-5-7-11(13)14(18)4-2/h5-8,12H,3-4,9-10H2,1-2H3,(H,16,19).
What are the key properties of 3-ethyl-4-(2-propanoylphenyl)piperazin-2-one?
3-ethyl-4-(2-propanoylphenyl)piperazin-2-one has a molecular weight of 260.34 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(2-propanoylphenyl)piperazin-2-one is sourced from PubChem (CID 112677437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).