3-butan-2-yl-1-(2-methoxy-2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione

C16H30N2O3 — CID 104766455

IUPAC3-butan-2-yl-1-(2-methoxy-2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCCC(C)C1NC(=O)C(C(C)C)N(CC(C)(C)OC)C1=O
InChIInChI=1S/C16H30N2O3/c1-8-11(4)12-15(20)18(9-16(5,6)21-7)13(10(2)3)14(19)17-12/h10-13H,8-9H2,1-7H3,(H,17,19)
InChIKeyXKNDWGCDZUAQGN-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.81
Rot. Bonds6

About 3-butan-2-yl-1-(2-methoxy-2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione

3-butan-2-yl-1-(2-methoxy-2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 104766455) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 3-butan-2-yl-1-(2-methoxy-2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-1-(2-methoxy-2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
PubChem CID104766455
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name3-butan-2-yl-1-(2-methoxy-2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCCC(C)C1NC(=O)C(C(C)C)N(CC(C)(C)OC)C1=O
InChIInChI=1S/C16H30N2O3/c1-8-11(4)12-15(20)18(9-16(5,6)21-7)13(10(2)3)14(19)17-12/h10-13H,8-9H2,1-7H3,(H,17,19)
InChIKeyXKNDWGCDZUAQGN-UHFFFAOYSA-N
XLogP1.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-butan-2-yl-1-(2-methoxy-2-methylpropyl)-6-propan-2-ylpiperazine-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-1-(2,2-dimethylbutyl)-6-propan-2-ylpiperazine-2,5-dione
CID 103465503
5-butan-2-yl-3-(2-methoxy-2-methylpropyl)-2-propan-2-ylimidazolidin-4-one
CID 104767773
5-butan-2-yl-3-(2-methoxy-2-methylpropyl)-2-propylimidazolidin-4-one
CID 104767780
3-butan-2-yl-1-pent-3-ynyl-6-propan-2-ylpiperazine-2,5-dione
CID 116645603
3-butan-2-yl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione
CID 64969105
3,6-di(butan-2-yl)-1-[(E)-3-chloroprop-2-enyl]piperazine-2,5-dione
CID 107902198
3-butan-2-yl-6-propan-2-yl-1-(thiolan-3-yl)piperazine-2,5-dione
CID 103065061
3-butan-2-yl-6-methyl-1-(2,2,3,3-tetrafluoropropyl)piperazine-2,5-dione
CID 106290775
3-butan-2-yl-1-(1-methylcyclopentyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64973556
6-butan-2-yl-3-propan-2-yl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
CID 64872817
6-butan-2-yl-3-propan-2-yl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione
CID 64873399
(3S,6S)-3,6-bis[(2R)-butan-2-yl]piperazine-2,5-dione
CID 7076241

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-(2-methoxy-2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 3-butan-2-yl-1-(2-methoxy-2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione (CID 104766455) is 3-butan-2-yl-1-(2-methoxy-2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-1-(2-methoxy-2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 3-butan-2-yl-1-(2-methoxy-2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione is CCC(C)C1NC(=O)C(C(C)C)N(CC(C)(C)OC)C1=O.
What is the InChIKey of 3-butan-2-yl-1-(2-methoxy-2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is XKNDWGCDZUAQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-8-11(4)12-15(20)18(9-16(5,6)21-7)13(10(2)3)14(19)17-12/h10-13H,8-9H2,1-7H3,(H,17,19).
What are the key properties of 3-butan-2-yl-1-(2-methoxy-2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione?
3-butan-2-yl-1-(2-methoxy-2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 298.43 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-(2-methoxy-2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 104766455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).