1-(2,2-dimethylbutyl)-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione

C17H32N2O2 — CID 103465427

IUPAC1-(2,2-dimethylbutyl)-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCCC(C)(C)CN1C(=O)C(CC)(CC)NC(=O)C1C(C)C
InChIInChI=1S/C17H32N2O2/c1-8-16(6,7)11-19-13(12(4)5)14(20)18-17(9-2,10-3)15(19)21/h12-13H,8-11H2,1-7H3,(H,18,20)
InChIKeyURYUPOAWILVVSU-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.96
Rot. Bonds6

About 1-(2,2-dimethylbutyl)-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione

1-(2,2-dimethylbutyl)-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 103465427) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 1-(2,2-dimethylbutyl)-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2,2-dimethylbutyl)-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione
PubChem CID103465427
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name1-(2,2-dimethylbutyl)-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCCC(C)(C)CN1C(=O)C(CC)(CC)NC(=O)C1C(C)C
InChIInChI=1S/C17H32N2O2/c1-8-16(6,7)11-19-13(12(4)5)14(20)18-17(9-2,10-3)15(19)21/h12-13H,8-11H2,1-7H3,(H,18,20)
InChIKeyURYUPOAWILVVSU-UHFFFAOYSA-N
XLogP2.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,2-dimethylbutyl)-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione with MolForge

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Related Compounds

1-tert-butyl-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione
CID 64955313
1-(2,2-dimethylpropyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64964468
3,3-diethyl-1-pent-3-ynyl-6-propan-2-ylpiperazine-2,5-dione
CID 116645652
3,3-diethyl-1-(4-methoxybutyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64967457
1-(2-ethoxy-2-methylpropyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 114944478
3,3-diethyl-6-propan-2-yl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione
CID 115979721
3-butan-2-yl-1-(2,2-dimethylbutyl)-6-propan-2-ylpiperazine-2,5-dione
CID 103465503
3,3-diethyl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione
CID 64968418
6-butan-2-yl-1-(cyclopropylmethyl)-3,3-diethylpiperazine-2,5-dione
CID 64885975
1-(1-ethoxypropan-2-yl)-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione
CID 64967399
6-cyclopropyl-1-(3,3-dimethylbutyl)-3,3-diethylpiperazine-2,5-dione
CID 64886170
9-(3-methylpentan-3-yl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 106329203

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylbutyl)-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-(2,2-dimethylbutyl)-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione (CID 103465427) is 1-(2,2-dimethylbutyl)-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2,2-dimethylbutyl)-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-(2,2-dimethylbutyl)-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione is CCC(C)(C)CN1C(=O)C(CC)(CC)NC(=O)C1C(C)C.
What is the InChIKey of 1-(2,2-dimethylbutyl)-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is URYUPOAWILVVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-8-16(6,7)11-19-13(12(4)5)14(20)18-17(9-2,10-3)15(19)21/h12-13H,8-11H2,1-7H3,(H,18,20).
What are the key properties of 1-(2,2-dimethylbutyl)-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione?
1-(2,2-dimethylbutyl)-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 296.45 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylbutyl)-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 103465427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).