6-methyl-3-(2-methylpropyl)-1-(2,3,3-trimethylbutyl)piperazine-2,5-dione

C16H30N2O2 — CID 83146598

IUPAC6-methyl-3-(2-methylpropyl)-1-(2,3,3-trimethylbutyl)piperazine-2,5-dione
SMILESCC(C)CC1NC(=O)C(C)N(CC(C)C(C)(C)C)C1=O
InChIInChI=1S/C16H30N2O2/c1-10(2)8-13-15(20)18(12(4)14(19)17-13)9-11(3)16(5,6)7/h10-13H,8-9H2,1-7H3,(H,17,19)
InChIKeyGQLWTESBWYJLTH-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.43
Rot. Bonds4

About 6-methyl-3-(2-methylpropyl)-1-(2,3,3-trimethylbutyl)piperazine-2,5-dione

6-methyl-3-(2-methylpropyl)-1-(2,3,3-trimethylbutyl)piperazine-2,5-dione (PubChem CID 83146598) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 6-methyl-3-(2-methylpropyl)-1-(2,3,3-trimethylbutyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-methyl-3-(2-methylpropyl)-1-(2,3,3-trimethylbutyl)piperazine-2,5-dione
PubChem CID83146598
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name6-methyl-3-(2-methylpropyl)-1-(2,3,3-trimethylbutyl)piperazine-2,5-dione
SMILESCC(C)CC1NC(=O)C(C)N(CC(C)C(C)(C)C)C1=O
InChIInChI=1S/C16H30N2O2/c1-10(2)8-13-15(20)18(12(4)14(19)17-13)9-11(3)16(5,6)7/h10-13H,8-9H2,1-7H3,(H,17,19)
InChIKeyGQLWTESBWYJLTH-UHFFFAOYSA-N
XLogP2.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(2-methylpropyl)-1-(2,3,3-trimethylbutyl)piperazine-2,5-dione?
The IUPAC name of 6-methyl-3-(2-methylpropyl)-1-(2,3,3-trimethylbutyl)piperazine-2,5-dione (CID 83146598) is 6-methyl-3-(2-methylpropyl)-1-(2,3,3-trimethylbutyl)piperazine-2,5-dione.
What is the SMILES notation for 6-methyl-3-(2-methylpropyl)-1-(2,3,3-trimethylbutyl)piperazine-2,5-dione?
The canonical SMILES for 6-methyl-3-(2-methylpropyl)-1-(2,3,3-trimethylbutyl)piperazine-2,5-dione is CC(C)CC1NC(=O)C(C)N(CC(C)C(C)(C)C)C1=O.
What is the InChIKey of 6-methyl-3-(2-methylpropyl)-1-(2,3,3-trimethylbutyl)piperazine-2,5-dione?
The InChIKey is GQLWTESBWYJLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-10(2)8-13-15(20)18(12(4)14(19)17-13)9-11(3)16(5,6)7/h10-13H,8-9H2,1-7H3,(H,17,19).
What are the key properties of 6-methyl-3-(2-methylpropyl)-1-(2,3,3-trimethylbutyl)piperazine-2,5-dione?
6-methyl-3-(2-methylpropyl)-1-(2,3,3-trimethylbutyl)piperazine-2,5-dione has a molecular weight of 282.43 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(2-methylpropyl)-1-(2,3,3-trimethylbutyl)piperazine-2,5-dione is sourced from PubChem (CID 83146598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).