3-tert-butyl-6,6-dimethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione

C16H28N2O3 — CID 64902280

IUPAC3-tert-butyl-6,6-dimethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione
SMILESCC(C)(C)C1NC(=O)C(C)(C)N(CC2CCOCC2)C1=O
InChIInChI=1S/C16H28N2O3/c1-15(2,3)12-13(19)18(16(4,5)14(20)17-12)10-11-6-8-21-9-7-11/h11-12H,6-10H2,1-5H3,(H,17,20)
InChIKeyNFVLBHPMDDEFKK-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.56
Rot. Bonds2

About 3-tert-butyl-6,6-dimethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione

3-tert-butyl-6,6-dimethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione (PubChem CID 64902280) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-tert-butyl-6,6-dimethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-6,6-dimethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione
PubChem CID64902280
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name3-tert-butyl-6,6-dimethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione
SMILESCC(C)(C)C1NC(=O)C(C)(C)N(CC2CCOCC2)C1=O
InChIInChI=1S/C16H28N2O3/c1-15(2,3)12-13(19)18(16(4,5)14(20)17-12)10-11-6-8-21-9-7-11/h11-12H,6-10H2,1-5H3,(H,17,20)
InChIKeyNFVLBHPMDDEFKK-UHFFFAOYSA-N
XLogP1.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-6,6-dimethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione
CID 64903009
3-tert-butyl-6,6-dimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine-2,5-dione
CID 65170251
6,6-dimethyl-1-(oxolan-3-ylmethyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64873223
6,6-dimethyl-1-(oxolan-3-ylmethyl)-3-propylpiperazine-2,5-dione
CID 64874959
3-tert-butyl-1-(3-methoxy-3-methylbutyl)-6,6-dimethylpiperazine-2,5-dione
CID 103016903
3-tert-butyl-1-cyclohexyl-6,6-dimethylpiperazine-2,5-dione
CID 82936711
3,6,6-triethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione
CID 64900912
3-tert-butyl-6,6-dimethyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 64901135
1-butan-2-yl-3-tert-butyl-6,6-dimethylpiperazine-2,5-dione
CID 79451893
2-ethyl-5-methyl-3-(oxan-4-ylmethyl)imidazolidin-4-one
CID 83257022
1-butan-2-yl-3-tert-butyl-6-cyclopropyl-6-methylpiperazine-2,5-dione
CID 79452305
1-(cyclobutylmethyl)-6,6-dimethyl-3-phenylpiperazine-2,5-dione
CID 65462288

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6,6-dimethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 3-tert-butyl-6,6-dimethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione (CID 64902280) is 3-tert-butyl-6,6-dimethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-6,6-dimethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 3-tert-butyl-6,6-dimethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione is CC(C)(C)C1NC(=O)C(C)(C)N(CC2CCOCC2)C1=O.
What is the InChIKey of 3-tert-butyl-6,6-dimethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione?
The InChIKey is NFVLBHPMDDEFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-15(2,3)12-13(19)18(16(4,5)14(20)17-12)10-11-6-8-21-9-7-11/h11-12H,6-10H2,1-5H3,(H,17,20).
What are the key properties of 3-tert-butyl-6,6-dimethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione?
3-tert-butyl-6,6-dimethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione has a molecular weight of 296.41 g/mol, XLogP of 1.56, 2 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-(oxan-4-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 64902280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).