1-(2-ethylphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one

C18H26N2O2 — CID 24716601

IUPAC1-(2-ethylphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one
SMILESCCc1ccccc1N1CCN(C(=O)CC(C)C)C(C)C1=O
InChIInChI=1S/C18H26N2O2/c1-5-15-8-6-7-9-16(15)20-11-10-19(14(4)18(20)22)17(21)12-13(2)3/h6-9,13-14H,5,10-12H2,1-4H3
InChIKeySJPXMHZUZDHSDR-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.86
Rot. Bonds4

About 1-(2-ethylphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one

1-(2-ethylphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one (PubChem CID 24716601) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one.

Molecular Properties

Compound Name1-(2-ethylphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one
PubChem CID24716601
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-(2-ethylphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one
SMILESCCc1ccccc1N1CCN(C(=O)CC(C)C)C(C)C1=O
InChIInChI=1S/C18H26N2O2/c1-5-15-8-6-7-9-16(15)20-11-10-19(14(4)18(20)22)17(21)12-13(2)3/h6-9,13-14H,5,10-12H2,1-4H3
InChIKeySJPXMHZUZDHSDR-UHFFFAOYSA-N
XLogP2.86
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one?
The IUPAC name of 1-(2-ethylphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one (CID 24716601) is 1-(2-ethylphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one.
What is the SMILES notation for 1-(2-ethylphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one?
The canonical SMILES for 1-(2-ethylphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one is CCc1ccccc1N1CCN(C(=O)CC(C)C)C(C)C1=O.
What is the InChIKey of 1-(2-ethylphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one?
The InChIKey is SJPXMHZUZDHSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-5-15-8-6-7-9-16(15)20-11-10-19(14(4)18(20)22)17(21)12-13(2)3/h6-9,13-14H,5,10-12H2,1-4H3.
What are the key properties of 1-(2-ethylphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one?
1-(2-ethylphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one has a molecular weight of 302.42 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one is sourced from PubChem (CID 24716601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).