6-tert-butyl-3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione

C16H28N2O3 — CID 65170198

IUPAC6-tert-butyl-3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
SMILESCC1NC(=O)C(C(C)(C)C)N(CCCC2CCCO2)C1=O
InChIInChI=1S/C16H28N2O3/c1-11-15(20)18(9-5-7-12-8-6-10-21-12)13(14(19)17-11)16(2,3)4/h11-13H,5-10H2,1-4H3,(H,17,19)
InChIKeySDHCUSVNKLBVCC-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.71
Rot. Bonds4

About 6-tert-butyl-3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione

6-tert-butyl-3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione (PubChem CID 65170198) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 6-tert-butyl-3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione.

Molecular Properties

Compound Name6-tert-butyl-3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
PubChem CID65170198
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name6-tert-butyl-3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
SMILESCC1NC(=O)C(C(C)(C)C)N(CCCC2CCCO2)C1=O
InChIInChI=1S/C16H28N2O3/c1-11-15(20)18(9-5-7-12-8-6-10-21-12)13(14(19)17-11)16(2,3)4/h11-13H,5-10H2,1-4H3,(H,17,19)
InChIKeySDHCUSVNKLBVCC-UHFFFAOYSA-N
XLogP1.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-dimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine-2,5-dione
CID 64967006
3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
CID 65170302
6-tert-butyl-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,5-dione
CID 115943709
3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,6-dione
CID 66076059
6-cyclopropyl-3,6-dimethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
CID 65170196
6-ethyl-3,3-dimethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
CID 65170495
3,6-dimethyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione
CID 64874853
6-tert-butyl-3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine-2,5-dione
CID 103016822
5-methyl-2-(2-methylpropyl)-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one
CID 83249314
3-tert-butyl-6,6-dimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine-2,5-dione
CID 65170251
3,3-dimethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
CID 65170352
2-tert-butyl-5-methyl-1-[3-(oxolan-2-yl)propyl]piperazine
CID 65170275

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione?
The IUPAC name of 6-tert-butyl-3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione (CID 65170198) is 6-tert-butyl-3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione.
What is the SMILES notation for 6-tert-butyl-3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione?
The canonical SMILES for 6-tert-butyl-3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione is CC1NC(=O)C(C(C)(C)C)N(CCCC2CCCO2)C1=O.
What is the InChIKey of 6-tert-butyl-3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione?
The InChIKey is SDHCUSVNKLBVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-11-15(20)18(9-5-7-12-8-6-10-21-12)13(14(19)17-11)16(2,3)4/h11-13H,5-10H2,1-4H3,(H,17,19).
What are the key properties of 6-tert-butyl-3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione?
6-tert-butyl-3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione has a molecular weight of 296.41 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione is sourced from PubChem (CID 65170198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).