6-ethyl-6-methyl-1-(4-methylpentyl)-3-propylpiperazine-2,5-dione

C16H30N2O2 — CID 83169739

IUPAC6-ethyl-6-methyl-1-(4-methylpentyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)(CC)N(CCCC(C)C)C1=O
InChIInChI=1S/C16H30N2O2/c1-6-9-13-14(19)18(11-8-10-12(3)4)16(5,7-2)15(20)17-13/h12-13H,6-11H2,1-5H3,(H,17,20)
InChIKeyIAKZCHQUNYOAFK-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.72
Rot. Bonds7

About 6-ethyl-6-methyl-1-(4-methylpentyl)-3-propylpiperazine-2,5-dione

6-ethyl-6-methyl-1-(4-methylpentyl)-3-propylpiperazine-2,5-dione (PubChem CID 83169739) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 6-ethyl-6-methyl-1-(4-methylpentyl)-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-6-methyl-1-(4-methylpentyl)-3-propylpiperazine-2,5-dione
PubChem CID83169739
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name6-ethyl-6-methyl-1-(4-methylpentyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)(CC)N(CCCC(C)C)C1=O
InChIInChI=1S/C16H30N2O2/c1-6-9-13-14(19)18(11-8-10-12(3)4)16(5,7-2)15(20)17-13/h12-13H,6-11H2,1-5H3,(H,17,20)
InChIKeyIAKZCHQUNYOAFK-UHFFFAOYSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-ethyl-6-methyl-1-(4-methylpentyl)-3-propylpiperazine-2,5-dione with MolForge

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Related Compounds

6-ethyl-1-(3-fluoropropyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 81113360
3-tert-butyl-6-ethyl-6-methyl-1-(4-methylpentyl)piperazine-2,5-dione
CID 83148918
6-ethyl-1-(4-methoxybutyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 104650364
6-ethyl-6-methyl-1-(2-propoxyethyl)-3-propylpiperazine-2,5-dione
CID 106458956
1-[(E)-3-chloroprop-2-enyl]-6-ethyl-6-methyl-3-propylpiperazine-2,5-dione
CID 107902046
6,6-dimethyl-1-pentyl-3-propylpiperazine-2,5-dione
CID 64873577
6-ethyl-6-methyl-1-[(2-methyltetrazol-5-yl)methyl]-3-propylpiperazine-2,5-dione
CID 107056418
1-butyl-6-ethyl-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64874004
6-ethyl-3,6-dimethyl-1-propylpiperazine-2,5-dione
CID 64874502
1-(3,3-dimethylbutyl)-6-ethyl-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64901357
6-ethyl-6-methyl-3-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine-2,5-dione
CID 64901542
1-(4-methylpentyl)-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione
CID 83148273

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-6-methyl-1-(4-methylpentyl)-3-propylpiperazine-2,5-dione?
The IUPAC name of 6-ethyl-6-methyl-1-(4-methylpentyl)-3-propylpiperazine-2,5-dione (CID 83169739) is 6-ethyl-6-methyl-1-(4-methylpentyl)-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-6-methyl-1-(4-methylpentyl)-3-propylpiperazine-2,5-dione?
The canonical SMILES for 6-ethyl-6-methyl-1-(4-methylpentyl)-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(C)(CC)N(CCCC(C)C)C1=O.
What is the InChIKey of 6-ethyl-6-methyl-1-(4-methylpentyl)-3-propylpiperazine-2,5-dione?
The InChIKey is IAKZCHQUNYOAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-6-9-13-14(19)18(11-8-10-12(3)4)16(5,7-2)15(20)17-13/h12-13H,6-11H2,1-5H3,(H,17,20).
What are the key properties of 6-ethyl-6-methyl-1-(4-methylpentyl)-3-propylpiperazine-2,5-dione?
6-ethyl-6-methyl-1-(4-methylpentyl)-3-propylpiperazine-2,5-dione has a molecular weight of 282.43 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-6-methyl-1-(4-methylpentyl)-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 83169739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).