6,6-dimethyl-3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine-2,5-dione

C16H28N2O3 — CID 64900781

IUPAC6,6-dimethyl-3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine-2,5-dione
SMILESCC(C)CC1NC(=O)C(C)(C)N(CC2CCCCO2)C1=O
InChIInChI=1S/C16H28N2O3/c1-11(2)9-13-14(19)18(16(3,4)15(20)17-13)10-12-7-5-6-8-21-12/h11-13H,5-10H2,1-4H3,(H,17,20)
InChIKeyJNTWNINCGNKLQY-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.71
Rot. Bonds4

About 6,6-dimethyl-3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine-2,5-dione

6,6-dimethyl-3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine-2,5-dione (PubChem CID 64900781) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 6,6-dimethyl-3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6,6-dimethyl-3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine-2,5-dione
PubChem CID64900781
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name6,6-dimethyl-3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine-2,5-dione
SMILESCC(C)CC1NC(=O)C(C)(C)N(CC2CCCCO2)C1=O
InChIInChI=1S/C16H28N2O3/c1-11(2)9-13-14(19)18(16(3,4)15(20)17-13)10-12-7-5-6-8-21-12/h11-13H,5-10H2,1-4H3,(H,17,20)
InChIKeyJNTWNINCGNKLQY-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

6,6-dimethyl-1-(oxan-2-ylmethyl)-3-propylpiperazine-2,5-dione
CID 64872985
3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine-2,5-dione
CID 64879773
2-ethyl-5-(2-methylpropyl)-3-(oxan-2-ylmethyl)imidazolidin-4-one
CID 83255692
6,6-dimethyl-3-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
CID 64901168
5-(2-methylpropyl)-6-(oxan-2-ylmethyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83256741
5-methyl-2-(2-methylpropyl)-3-(oxolan-2-ylmethyl)imidazolidin-4-one
CID 83251471
(2R)-2-(2-methylpropyl)oxane
CID 58653197
3-butan-2-yl-6-ethyl-6-methyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione
CID 64901959
3-ethyl-6,6-dimethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione
CID 64903009
6-cyclopropyl-3,3,6-trimethyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione
CID 64903543
5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione;propan-2-ol
CID 158725431
2,5-dimethyl-3-(oxan-2-ylmethyl)imidazolidin-4-one
CID 83255693

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 6,6-dimethyl-3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine-2,5-dione (CID 64900781) is 6,6-dimethyl-3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 6,6-dimethyl-3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 6,6-dimethyl-3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine-2,5-dione is CC(C)CC1NC(=O)C(C)(C)N(CC2CCCCO2)C1=O.
What is the InChIKey of 6,6-dimethyl-3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine-2,5-dione?
The InChIKey is JNTWNINCGNKLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-11(2)9-13-14(19)18(16(3,4)15(20)17-13)10-12-7-5-6-8-21-12/h11-13H,5-10H2,1-4H3,(H,17,20).
What are the key properties of 6,6-dimethyl-3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine-2,5-dione?
6,6-dimethyl-3-(2-methylpropyl)-1-(oxan-2-ylmethyl)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 6,6-dimethyl-3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 64900781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).