1-(3-ethylpentan-2-yl)-6-propan-2-yl-3-propylpiperazine-2,5-dione

C17H32N2O2 — CID 64971646

IUPAC1-(3-ethylpentan-2-yl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C(C)C)N(C(C)C(CC)CC)C1=O
InChIInChI=1S/C17H32N2O2/c1-7-10-14-17(21)19(12(6)13(8-2)9-3)15(11(4)5)16(20)18-14/h11-15H,7-10H2,1-6H3,(H,18,20)
InChIKeyCJHKWTZLLAGUMT-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.96
Rot. Bonds7

About 1-(3-ethylpentan-2-yl)-6-propan-2-yl-3-propylpiperazine-2,5-dione

1-(3-ethylpentan-2-yl)-6-propan-2-yl-3-propylpiperazine-2,5-dione (PubChem CID 64971646) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 1-(3-ethylpentan-2-yl)-6-propan-2-yl-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-ethylpentan-2-yl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
PubChem CID64971646
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name1-(3-ethylpentan-2-yl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C(C)C)N(C(C)C(CC)CC)C1=O
InChIInChI=1S/C17H32N2O2/c1-7-10-14-17(21)19(12(6)13(8-2)9-3)15(11(4)5)16(20)18-14/h11-15H,7-10H2,1-6H3,(H,18,20)
InChIKeyCJHKWTZLLAGUMT-UHFFFAOYSA-N
XLogP2.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-ethylpentan-2-yl)-6-propan-2-yl-3-propylpiperazine-2,5-dione with MolForge

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Related Compounds

1-pentan-2-yl-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64957236
3-ethyl-1-(3-methylbutan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 64959747
1-(1-methoxypentan-2-yl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64972873
1-tert-butyl-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64956085
6-propan-2-yl-3-propyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione
CID 64963106
3-ethyl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione
CID 64969006
1-(2-methylcyclopropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64969350
6-methyl-1-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64872566
1-cycloheptyl-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64959767
6-methyl-1-(2-methylpentan-3-yl)-3-propylpiperazine-2,5-dione
CID 64964662
6-methyl-1-(2-methylpropyl)-3-propylpiperazine-2,5-dione
CID 64872371
1-(2,3-dimethylcyclopentyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64973429

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpentan-2-yl)-6-propan-2-yl-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-(3-ethylpentan-2-yl)-6-propan-2-yl-3-propylpiperazine-2,5-dione (CID 64971646) is 1-(3-ethylpentan-2-yl)-6-propan-2-yl-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3-ethylpentan-2-yl)-6-propan-2-yl-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-(3-ethylpentan-2-yl)-6-propan-2-yl-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(C(C)C)N(C(C)C(CC)CC)C1=O.
What is the InChIKey of 1-(3-ethylpentan-2-yl)-6-propan-2-yl-3-propylpiperazine-2,5-dione?
The InChIKey is CJHKWTZLLAGUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-7-10-14-17(21)19(12(6)13(8-2)9-3)15(11(4)5)16(20)18-14/h11-15H,7-10H2,1-6H3,(H,18,20).
What are the key properties of 1-(3-ethylpentan-2-yl)-6-propan-2-yl-3-propylpiperazine-2,5-dione?
1-(3-ethylpentan-2-yl)-6-propan-2-yl-3-propylpiperazine-2,5-dione has a molecular weight of 296.45 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpentan-2-yl)-6-propan-2-yl-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64971646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).