6-tert-butyl-3-cyclopropyl-3-methyl-1-(2-methylpropyl)piperazine-2,5-dione

C16H28N2O2 — CID 64884996

IUPAC6-tert-butyl-3-cyclopropyl-3-methyl-1-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CN1C(=O)C(C)(C2CC2)NC(=O)C1C(C)(C)C
InChIInChI=1S/C16H28N2O2/c1-10(2)9-18-12(15(3,4)5)13(19)17-16(6,14(18)20)11-7-8-11/h10-12H,7-9H2,1-6H3,(H,17,19)
InChIKeyMEGGAXCKIXXDTB-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.18
Rot. Bonds3

About 6-tert-butyl-3-cyclopropyl-3-methyl-1-(2-methylpropyl)piperazine-2,5-dione

6-tert-butyl-3-cyclopropyl-3-methyl-1-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 64884996) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 6-tert-butyl-3-cyclopropyl-3-methyl-1-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-tert-butyl-3-cyclopropyl-3-methyl-1-(2-methylpropyl)piperazine-2,5-dione
PubChem CID64884996
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name6-tert-butyl-3-cyclopropyl-3-methyl-1-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CN1C(=O)C(C)(C2CC2)NC(=O)C1C(C)(C)C
InChIInChI=1S/C16H28N2O2/c1-10(2)9-18-12(15(3,4)5)13(19)17-16(6,14(18)20)11-7-8-11/h10-12H,7-9H2,1-6H3,(H,17,19)
InChIKeyMEGGAXCKIXXDTB-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-cyclopropyl-3-methyl-1-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 6-tert-butyl-3-cyclopropyl-3-methyl-1-(2-methylpropyl)piperazine-2,5-dione (CID 64884996) is 6-tert-butyl-3-cyclopropyl-3-methyl-1-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 6-tert-butyl-3-cyclopropyl-3-methyl-1-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 6-tert-butyl-3-cyclopropyl-3-methyl-1-(2-methylpropyl)piperazine-2,5-dione is CC(C)CN1C(=O)C(C)(C2CC2)NC(=O)C1C(C)(C)C.
What is the InChIKey of 6-tert-butyl-3-cyclopropyl-3-methyl-1-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is MEGGAXCKIXXDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-10(2)9-18-12(15(3,4)5)13(19)17-16(6,14(18)20)11-7-8-11/h10-12H,7-9H2,1-6H3,(H,17,19).
What are the key properties of 6-tert-butyl-3-cyclopropyl-3-methyl-1-(2-methylpropyl)piperazine-2,5-dione?
6-tert-butyl-3-cyclopropyl-3-methyl-1-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 280.41 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-cyclopropyl-3-methyl-1-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 64884996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).