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

C16H28N2O3 — CID 64903462

IUPAC3-butan-2-yl-6-tert-butyl-1-(oxolan-3-yl)piperazine-2,5-dione
SMILESCCC(C)C1NC(=O)C(C(C)(C)C)N(C2CCOC2)C1=O
InChIInChI=1S/C16H28N2O3/c1-6-10(2)12-15(20)18(11-7-8-21-9-11)13(14(19)17-12)16(3,4)5/h10-13H,6-9H2,1-5H3,(H,17,19)
InChIKeyHKSKVADQHINUBX-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.56
Rot. Bonds3

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

3-butan-2-yl-6-tert-butyl-1-(oxolan-3-yl)piperazine-2,5-dione (PubChem CID 64903462) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-butan-2-yl-6-tert-butyl-1-(oxolan-3-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-6-tert-butyl-1-(oxolan-3-yl)piperazine-2,5-dione
PubChem CID64903462
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name3-butan-2-yl-6-tert-butyl-1-(oxolan-3-yl)piperazine-2,5-dione
SMILESCCC(C)C1NC(=O)C(C(C)(C)C)N(C2CCOC2)C1=O
InChIInChI=1S/C16H28N2O3/c1-6-10(2)12-15(20)18(11-7-8-21-9-11)13(14(19)17-12)16(3,4)5/h10-13H,6-9H2,1-5H3,(H,17,19)
InChIKeyHKSKVADQHINUBX-UHFFFAOYSA-N
XLogP1.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

Analyze 3-butan-2-yl-6-tert-butyl-1-(oxolan-3-yl)piperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-butan-2-yl-6-ethyl-1-(oxolan-3-yl)piperazine-2,5-dione
CID 64902522
3-butan-2-yl-7-methyl-1-(oxolan-3-yl)-1,4-diazepane-2,5-dione
CID 64882943
6-methyl-1-(oxolan-3-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64873851
5-butan-2-yl-2-methyl-3-(oxan-3-yl)imidazolidin-4-one
CID 83264762
6-cyclopropyl-1-(oxolan-3-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64873601
3-tert-butyl-1-(oxolan-3-yl)-6-propylpiperazine-2,5-dione
CID 64902463
6-tert-butyl-3,3-dimethyl-1-(oxolan-3-yl)piperazine-2,5-dione
CID 64901984
3-tert-butyl-6-methyl-1-(oxolan-3-yl)piperazine-2,5-dione
CID 64903031
8-butan-2-yl-9-(oxolan-3-yl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64887421
1-butan-2-yl-6-tert-butyl-3-propan-2-ylpiperazine-2,5-dione
CID 79452301
3-butan-2-yl-6-methyl-1-(1-methylpiperidin-4-yl)piperazine-2,5-dione
CID 64960169
3-butan-2-yl-1-cyclohexyl-6-cyclopropylpiperazine-2,5-dione
CID 82923635

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-6-tert-butyl-1-(oxolan-3-yl)piperazine-2,5-dione?
The IUPAC name of 3-butan-2-yl-6-tert-butyl-1-(oxolan-3-yl)piperazine-2,5-dione (CID 64903462) is 3-butan-2-yl-6-tert-butyl-1-(oxolan-3-yl)piperazine-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-6-tert-butyl-1-(oxolan-3-yl)piperazine-2,5-dione?
The canonical SMILES for 3-butan-2-yl-6-tert-butyl-1-(oxolan-3-yl)piperazine-2,5-dione is CCC(C)C1NC(=O)C(C(C)(C)C)N(C2CCOC2)C1=O.
What is the InChIKey of 3-butan-2-yl-6-tert-butyl-1-(oxolan-3-yl)piperazine-2,5-dione?
The InChIKey is HKSKVADQHINUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-6-10(2)12-15(20)18(11-7-8-21-9-11)13(14(19)17-12)16(3,4)5/h10-13H,6-9H2,1-5H3,(H,17,19).
What are the key properties of 3-butan-2-yl-6-tert-butyl-1-(oxolan-3-yl)piperazine-2,5-dione?
3-butan-2-yl-6-tert-butyl-1-(oxolan-3-yl)piperazine-2,5-dione has a molecular weight of 296.41 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-6-tert-butyl-1-(oxolan-3-yl)piperazine-2,5-dione is sourced from PubChem (CID 64903462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).