3-tert-butyl-6,6-dimethyl-1-(oxolan-3-yl)piperazine-2,5-dione

C14H24N2O3 — CID 64901324

IUPAC3-tert-butyl-6,6-dimethyl-1-(oxolan-3-yl)piperazine-2,5-dione
SMILESCC(C)(C)C1NC(=O)C(C)(C)N(C2CCOC2)C1=O
InChIInChI=1S/C14H24N2O3/c1-13(2,3)10-11(17)16(9-6-7-19-8-9)14(4,5)12(18)15-10/h9-10H,6-8H2,1-5H3,(H,15,18)
InChIKeyDVKDOIRLCAAWHD-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.93
Rot. Bonds1

About 3-tert-butyl-6,6-dimethyl-1-(oxolan-3-yl)piperazine-2,5-dione

3-tert-butyl-6,6-dimethyl-1-(oxolan-3-yl)piperazine-2,5-dione (PubChem CID 64901324) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-tert-butyl-6,6-dimethyl-1-(oxolan-3-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-6,6-dimethyl-1-(oxolan-3-yl)piperazine-2,5-dione
PubChem CID64901324
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name3-tert-butyl-6,6-dimethyl-1-(oxolan-3-yl)piperazine-2,5-dione
SMILESCC(C)(C)C1NC(=O)C(C)(C)N(C2CCOC2)C1=O
InChIInChI=1S/C14H24N2O3/c1-13(2,3)10-11(17)16(9-6-7-19-8-9)14(4,5)12(18)15-10/h9-10H,6-8H2,1-5H3,(H,15,18)
InChIKeyDVKDOIRLCAAWHD-UHFFFAOYSA-N
XLogP0.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6,6-dimethyl-1-(oxolan-3-yl)piperazine-2,5-dione?
The IUPAC name of 3-tert-butyl-6,6-dimethyl-1-(oxolan-3-yl)piperazine-2,5-dione (CID 64901324) is 3-tert-butyl-6,6-dimethyl-1-(oxolan-3-yl)piperazine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-6,6-dimethyl-1-(oxolan-3-yl)piperazine-2,5-dione?
The canonical SMILES for 3-tert-butyl-6,6-dimethyl-1-(oxolan-3-yl)piperazine-2,5-dione is CC(C)(C)C1NC(=O)C(C)(C)N(C2CCOC2)C1=O.
What is the InChIKey of 3-tert-butyl-6,6-dimethyl-1-(oxolan-3-yl)piperazine-2,5-dione?
The InChIKey is DVKDOIRLCAAWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-13(2,3)10-11(17)16(9-6-7-19-8-9)14(4,5)12(18)15-10/h9-10H,6-8H2,1-5H3,(H,15,18).
What are the key properties of 3-tert-butyl-6,6-dimethyl-1-(oxolan-3-yl)piperazine-2,5-dione?
3-tert-butyl-6,6-dimethyl-1-(oxolan-3-yl)piperazine-2,5-dione has a molecular weight of 268.36 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6,6-dimethyl-1-(oxolan-3-yl)piperazine-2,5-dione is sourced from PubChem (CID 64901324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).