(3R)-1-(2-ethylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one

C17H24N2O2 — CID 93290812

IUPAC(3R)-1-(2-ethylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one
SMILESCCc1ccccc1N1CCN(C(=O)C(C)C)[C@H](C)C1=O
InChIInChI=1S/C17H24N2O2/c1-5-14-8-6-7-9-15(14)19-11-10-18(13(4)17(19)21)16(20)12(2)3/h6-9,12-13H,5,10-11H2,1-4H3/t13-/m1/s1
InChIKeyXCBCHLLLTTYIPX-CYBMUJFWSA-N
MW288.39 g/mol
LogP2.47
Rot. Bonds3

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

(3R)-1-(2-ethylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one (PubChem CID 93290812) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (3R)-1-(2-ethylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one.

Molecular Properties

Compound Name(3R)-1-(2-ethylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one
PubChem CID93290812
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(3R)-1-(2-ethylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one
SMILESCCc1ccccc1N1CCN(C(=O)C(C)C)[C@H](C)C1=O
InChIInChI=1S/C17H24N2O2/c1-5-14-8-6-7-9-15(14)19-11-10-18(13(4)17(19)21)16(20)12(2)3/h6-9,12-13H,5,10-11H2,1-4H3/t13-/m1/s1
InChIKeyXCBCHLLLTTYIPX-CYBMUJFWSA-N
XLogP2.47
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-ethylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one?
The IUPAC name of (3R)-1-(2-ethylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one (CID 93290812) is (3R)-1-(2-ethylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one.
What is the SMILES notation for (3R)-1-(2-ethylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one?
The canonical SMILES for (3R)-1-(2-ethylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one is CCc1ccccc1N1CCN(C(=O)C(C)C)[C@H](C)C1=O.
What is the InChIKey of (3R)-1-(2-ethylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one?
The InChIKey is XCBCHLLLTTYIPX-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-5-14-8-6-7-9-15(14)19-11-10-18(13(4)17(19)21)16(20)12(2)3/h6-9,12-13H,5,10-11H2,1-4H3/t13-/m1/s1.
What are the key properties of (3R)-1-(2-ethylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one?
(3R)-1-(2-ethylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one has a molecular weight of 288.39 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-ethylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one is sourced from PubChem (CID 93290812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).