1-pentan-2-yl-6-propan-2-yl-3-propylpiperazine-2,5-dione

C15H28N2O2 — CID 64957236

IUPAC1-pentan-2-yl-6-propan-2-yl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C(C)C)N(C(C)CCC)C1=O
InChIInChI=1S/C15H28N2O2/c1-6-8-11(5)17-13(10(3)4)14(18)16-12(9-7-2)15(17)19/h10-13H,6-9H2,1-5H3,(H,16,18)
InChIKeyLYMLULXTZAVEBV-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.33
Rot. Bonds6

About 1-pentan-2-yl-6-propan-2-yl-3-propylpiperazine-2,5-dione

1-pentan-2-yl-6-propan-2-yl-3-propylpiperazine-2,5-dione (PubChem CID 64957236) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-pentan-2-yl-6-propan-2-yl-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-pentan-2-yl-6-propan-2-yl-3-propylpiperazine-2,5-dione
PubChem CID64957236
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-pentan-2-yl-6-propan-2-yl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C(C)C)N(C(C)CCC)C1=O
InChIInChI=1S/C15H28N2O2/c1-6-8-11(5)17-13(10(3)4)14(18)16-12(9-7-2)15(17)19/h10-13H,6-9H2,1-5H3,(H,16,18)
InChIKeyLYMLULXTZAVEBV-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-pentan-2-yl-6-propan-2-yl-3-propylpiperazine-2,5-dione with MolForge

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Related Compounds

1-(1-methoxypentan-2-yl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64972873
1-(3-ethylpentan-2-yl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64971646
3-ethyl-1-(4-methoxybutan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 64973083
3-ethyl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione
CID 64969006
1-hexan-2-yl-6-methyl-3-propylpiperazine-2,5-dione
CID 64969088
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-pentan-2-yl-2,5-dipropylimidazolidin-4-one
CID 83238815
1-(2-methylcyclopropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64969350
1-(4-methoxybutan-2-yl)-3,6-dipropylpiperazine-2,5-dione
CID 116500053
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

Frequently Asked Questions

What is the IUPAC name of 1-pentan-2-yl-6-propan-2-yl-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-pentan-2-yl-6-propan-2-yl-3-propylpiperazine-2,5-dione (CID 64957236) is 1-pentan-2-yl-6-propan-2-yl-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-pentan-2-yl-6-propan-2-yl-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-pentan-2-yl-6-propan-2-yl-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(C(C)C)N(C(C)CCC)C1=O.
What is the InChIKey of 1-pentan-2-yl-6-propan-2-yl-3-propylpiperazine-2,5-dione?
The InChIKey is LYMLULXTZAVEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-6-8-11(5)17-13(10(3)4)14(18)16-12(9-7-2)15(17)19/h10-13H,6-9H2,1-5H3,(H,16,18).
What are the key properties of 1-pentan-2-yl-6-propan-2-yl-3-propylpiperazine-2,5-dione?
1-pentan-2-yl-6-propan-2-yl-3-propylpiperazine-2,5-dione has a molecular weight of 268.40 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentan-2-yl-6-propan-2-yl-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64957236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).