1-(3-methylbut-2-enyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione

C16H28N2O2 — CID 107902164

IUPAC1-(3-methylbut-2-enyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(CC(C)C)C(=O)N1CC=C(C)C
InChIInChI=1S/C16H28N2O2/c1-6-7-14-15(19)17-13(10-12(4)5)16(20)18(14)9-8-11(2)3/h8,12-14H,6-7,9-10H2,1-5H3,(H,17,19)
InChIKeyVFKSHGKIEQFLIR-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.49
Rot. Bonds6

About 1-(3-methylbut-2-enyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione

1-(3-methylbut-2-enyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione (PubChem CID 107902164) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
PubChem CID107902164
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-(3-methylbut-2-enyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(CC(C)C)C(=O)N1CC=C(C)C
InChIInChI=1S/C16H28N2O2/c1-6-7-14-15(19)17-13(10-12(4)5)16(20)18(14)9-8-11(2)3/h8,12-14H,6-7,9-10H2,1-5H3,(H,17,19)
InChIKeyVFKSHGKIEQFLIR-UHFFFAOYSA-N
XLogP2.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-enyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione?
The IUPAC name of 1-(3-methylbut-2-enyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione (CID 107902164) is 1-(3-methylbut-2-enyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3-methylbut-2-enyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione?
The canonical SMILES for 1-(3-methylbut-2-enyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione is CCCC1C(=O)NC(CC(C)C)C(=O)N1CC=C(C)C.
What is the InChIKey of 1-(3-methylbut-2-enyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione?
The InChIKey is VFKSHGKIEQFLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-6-7-14-15(19)17-13(10-12(4)5)16(20)18(14)9-8-11(2)3/h8,12-14H,6-7,9-10H2,1-5H3,(H,17,19).
What are the key properties of 1-(3-methylbut-2-enyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione?
1-(3-methylbut-2-enyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione has a molecular weight of 280.41 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-enyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione is sourced from PubChem (CID 107902164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).