6-butan-2-yl-3,3-dimethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione

C16H28N2O3 — CID 64901588

IUPAC6-butan-2-yl-3,3-dimethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione
SMILESCCC(C)C1C(=O)NC(C)(C)C(=O)N1CC1CCOCC1
InChIInChI=1S/C16H28N2O3/c1-5-11(2)13-14(19)17-16(3,4)15(20)18(13)10-12-6-8-21-9-7-12/h11-13H,5-10H2,1-4H3,(H,17,19)
InChIKeyAMZUNTYWFDOQNJ-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.56
Rot. Bonds4

About 6-butan-2-yl-3,3-dimethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione

6-butan-2-yl-3,3-dimethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione (PubChem CID 64901588) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 6-butan-2-yl-3,3-dimethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-butan-2-yl-3,3-dimethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione
PubChem CID64901588
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name6-butan-2-yl-3,3-dimethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione
SMILESCCC(C)C1C(=O)NC(C)(C)C(=O)N1CC1CCOCC1
InChIInChI=1S/C16H28N2O3/c1-5-11(2)13-14(19)17-16(3,4)15(20)18(13)10-12-6-8-21-9-7-12/h11-13H,5-10H2,1-4H3,(H,17,19)
InChIKeyAMZUNTYWFDOQNJ-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-butan-2-yl-3,3-dimethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione with MolForge

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Related Compounds

6-butan-2-yl-1-(cyclopropylmethyl)-3,3-diethylpiperazine-2,5-dione
CID 64885975
6-butan-2-yl-3,3-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione
CID 115979661
6-butan-2-yl-3-cyclopropyl-1-ethyl-3-methylpiperazine-2,5-dione
CID 64887094
6-butan-2-yl-3,3-dimethyl-1-[(1-methyltriazol-4-yl)methyl]piperazine-2,5-dione
CID 107056471
6-butan-2-yl-1-(cyclopentylmethyl)-3-cyclopropylpiperazine-2,5-dione
CID 64886009
1-(cyclohexylmethyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64901759
6-butan-2-yl-3-cyclopropyl-1-(2-ethoxyethyl)-3-methylpiperazine-2,5-dione
CID 64887477
5-butan-2-yl-1-(cyclopropylmethyl)-4-iminoimidazolidin-2-one
CID 138389691
8-butan-2-yl-9-(oxolan-3-yl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64887421
2-ethyl-5-methyl-3-(oxan-4-ylmethyl)imidazolidin-4-one
CID 83257022
6-benzyl-1-(cyclopropylmethyl)-3,3-dimethylpiperazine-2,5-dione
CID 64901986
5-butan-2-yl-2-cyclopentyl-3-(oxolan-3-ylmethyl)imidazolidin-4-one
CID 83252729

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-3,3-dimethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 6-butan-2-yl-3,3-dimethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione (CID 64901588) is 6-butan-2-yl-3,3-dimethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 6-butan-2-yl-3,3-dimethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 6-butan-2-yl-3,3-dimethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione is CCC(C)C1C(=O)NC(C)(C)C(=O)N1CC1CCOCC1.
What is the InChIKey of 6-butan-2-yl-3,3-dimethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione?
The InChIKey is AMZUNTYWFDOQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-5-11(2)13-14(19)17-16(3,4)15(20)18(13)10-12-6-8-21-9-7-12/h11-13H,5-10H2,1-4H3,(H,17,19).
What are the key properties of 6-butan-2-yl-3,3-dimethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione?
6-butan-2-yl-3,3-dimethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione has a molecular weight of 296.41 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-3,3-dimethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 64901588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).