3-ethyl-3-methyl-1-(4-methylpentan-2-yl)-6-propan-2-ylpiperazine-2,5-dione

C16H30N2O2 — CID 64960140

IUPAC3-ethyl-3-methyl-1-(4-methylpentan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C(C)C)N(C(C)CC(C)C)C1=O
InChIInChI=1S/C16H30N2O2/c1-8-16(7)15(20)18(12(6)9-10(2)3)13(11(4)5)14(19)17-16/h10-13H,8-9H2,1-7H3,(H,17,19)
InChIKeyUKKXUNUWNREXDR-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.57
Rot. Bonds5

About 3-ethyl-3-methyl-1-(4-methylpentan-2-yl)-6-propan-2-ylpiperazine-2,5-dione

3-ethyl-3-methyl-1-(4-methylpentan-2-yl)-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 64960140) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 3-ethyl-3-methyl-1-(4-methylpentan-2-yl)-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-3-methyl-1-(4-methylpentan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
PubChem CID64960140
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name3-ethyl-3-methyl-1-(4-methylpentan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C(C)C)N(C(C)CC(C)C)C1=O
InChIInChI=1S/C16H30N2O2/c1-8-16(7)15(20)18(12(6)9-10(2)3)13(11(4)5)14(19)17-16/h10-13H,8-9H2,1-7H3,(H,17,19)
InChIKeyUKKXUNUWNREXDR-UHFFFAOYSA-N
XLogP2.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-3-methyl-1-(4-methylpentan-2-yl)-6-propan-2-ylpiperazine-2,5-dione with MolForge

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Related Compounds

1-(1-cyclopropylethyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64960516
1-(dicyclopropylmethyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64965656
3-ethyl-1-hex-1-yn-3-yl-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 106225032
3-ethyl-3-methyl-1-(3-methylbutyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64901390
3-ethyl-3-methyl-6-propan-2-yl-1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64973282
1-(2,2-dimethylpropyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64964468
3-ethyl-3-methyl-1-(5-methylhexyl)-6-propan-2-ylpiperazine-2,5-dione
CID 115327146
3-ethyl-3-methyl-6-(2-methylpropyl)-1-propan-2-ylpiperazine-2,5-dione
CID 64885480
3-ethyl-3-methyl-6-propan-2-yl-1-prop-2-ynylpiperazine-2,5-dione
CID 64963630
3-ethyl-3-methyl-1-(1-methylcyclohexyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64968189
3,6-diethyl-3-methyl-1-(3-methylbutan-2-yl)piperazine-2,5-dione
CID 64959773
3,6-diethyl-3-methyl-1-(2-methylpropyl)piperazine-2,5-dione
CID 64886046

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-1-(4-methylpentan-2-yl)-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 3-ethyl-3-methyl-1-(4-methylpentan-2-yl)-6-propan-2-ylpiperazine-2,5-dione (CID 64960140) is 3-ethyl-3-methyl-1-(4-methylpentan-2-yl)-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-3-methyl-1-(4-methylpentan-2-yl)-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 3-ethyl-3-methyl-1-(4-methylpentan-2-yl)-6-propan-2-ylpiperazine-2,5-dione is CCC1(C)NC(=O)C(C(C)C)N(C(C)CC(C)C)C1=O.
What is the InChIKey of 3-ethyl-3-methyl-1-(4-methylpentan-2-yl)-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is UKKXUNUWNREXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-8-16(7)15(20)18(12(6)9-10(2)3)13(11(4)5)14(19)17-16/h10-13H,8-9H2,1-7H3,(H,17,19).
What are the key properties of 3-ethyl-3-methyl-1-(4-methylpentan-2-yl)-6-propan-2-ylpiperazine-2,5-dione?
3-ethyl-3-methyl-1-(4-methylpentan-2-yl)-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 282.43 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-1-(4-methylpentan-2-yl)-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64960140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).