3-tert-butyl-1-cyclohexyl-6,6-dimethylpiperazine-2,5-dione

C16H28N2O2 — CID 82936711

IUPAC3-tert-butyl-1-cyclohexyl-6,6-dimethylpiperazine-2,5-dione
SMILESCC(C)(C)C1NC(=O)C(C)(C)N(C2CCCCC2)C1=O
InChIInChI=1S/C16H28N2O2/c1-15(2,3)12-13(19)18(11-9-7-6-8-10-11)16(4,5)14(20)17-12/h11-12H,6-10H2,1-5H3,(H,17,20)
InChIKeyTWPGUEQOQCPFKL-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.47
Rot. Bonds1

About 3-tert-butyl-1-cyclohexyl-6,6-dimethylpiperazine-2,5-dione

3-tert-butyl-1-cyclohexyl-6,6-dimethylpiperazine-2,5-dione (PubChem CID 82936711) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 3-tert-butyl-1-cyclohexyl-6,6-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-1-cyclohexyl-6,6-dimethylpiperazine-2,5-dione
PubChem CID82936711
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name3-tert-butyl-1-cyclohexyl-6,6-dimethylpiperazine-2,5-dione
SMILESCC(C)(C)C1NC(=O)C(C)(C)N(C2CCCCC2)C1=O
InChIInChI=1S/C16H28N2O2/c1-15(2,3)12-13(19)18(11-9-7-6-8-10-11)16(4,5)14(20)17-12/h11-12H,6-10H2,1-5H3,(H,17,20)
InChIKeyTWPGUEQOQCPFKL-UHFFFAOYSA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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 3-tert-butyl-1-cyclohexyl-6,6-dimethylpiperazine-2,5-dione?
The IUPAC name of 3-tert-butyl-1-cyclohexyl-6,6-dimethylpiperazine-2,5-dione (CID 82936711) is 3-tert-butyl-1-cyclohexyl-6,6-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-1-cyclohexyl-6,6-dimethylpiperazine-2,5-dione?
The canonical SMILES for 3-tert-butyl-1-cyclohexyl-6,6-dimethylpiperazine-2,5-dione is CC(C)(C)C1NC(=O)C(C)(C)N(C2CCCCC2)C1=O.
What is the InChIKey of 3-tert-butyl-1-cyclohexyl-6,6-dimethylpiperazine-2,5-dione?
The InChIKey is TWPGUEQOQCPFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-15(2,3)12-13(19)18(11-9-7-6-8-10-11)16(4,5)14(20)17-12/h11-12H,6-10H2,1-5H3,(H,17,20).
What are the key properties of 3-tert-butyl-1-cyclohexyl-6,6-dimethylpiperazine-2,5-dione?
3-tert-butyl-1-cyclohexyl-6,6-dimethylpiperazine-2,5-dione has a molecular weight of 280.41 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-cyclohexyl-6,6-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 82936711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).