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

C16H28N2O2 — CID 82936794

IUPAC1-cycloheptyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CC1C(=O)NC(C)C(=O)N1C1CCCCCC1
InChIInChI=1S/C16H28N2O2/c1-11(2)10-14-15(19)17-12(3)16(20)18(14)13-8-6-4-5-7-9-13/h11-14H,4-10H2,1-3H3,(H,17,19)
InChIKeyCUFOFEYQQCAVTA-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.47
Rot. Bonds3

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

1-cycloheptyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 82936794) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-cycloheptyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-cycloheptyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione
PubChem CID82936794
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-cycloheptyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CC1C(=O)NC(C)C(=O)N1C1CCCCCC1
InChIInChI=1S/C16H28N2O2/c1-11(2)10-14-15(19)17-12(3)16(20)18(14)13-8-6-4-5-7-9-13/h11-14H,4-10H2,1-3H3,(H,17,19)
InChIKeyCUFOFEYQQCAVTA-UHFFFAOYSA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 1-cycloheptyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione (CID 82936794) is 1-cycloheptyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 1-cycloheptyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 1-cycloheptyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione is CC(C)CC1C(=O)NC(C)C(=O)N1C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is CUFOFEYQQCAVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-11(2)10-14-15(19)17-12(3)16(20)18(14)13-8-6-4-5-7-9-13/h11-14H,4-10H2,1-3H3,(H,17,19).
What are the key properties of 1-cycloheptyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione?
1-cycloheptyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 280.41 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 82936794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).