3-tert-butyl-1-pentyl-6-propylpiperazine-2,5-dione

C16H30N2O2 — CID 64901503

IUPAC3-tert-butyl-1-pentyl-6-propylpiperazine-2,5-dione
SMILESCCCCCN1C(=O)C(C(C)(C)C)NC(=O)C1CCC
InChIInChI=1S/C16H30N2O2/c1-6-8-9-11-18-12(10-7-2)14(19)17-13(15(18)20)16(3,4)5/h12-13H,6-11H2,1-5H3,(H,17,19)
InChIKeyPLQZDWOAULVIFH-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.72
Rot. Bonds6

About 3-tert-butyl-1-pentyl-6-propylpiperazine-2,5-dione

3-tert-butyl-1-pentyl-6-propylpiperazine-2,5-dione (PubChem CID 64901503) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 3-tert-butyl-1-pentyl-6-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-1-pentyl-6-propylpiperazine-2,5-dione
PubChem CID64901503
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name3-tert-butyl-1-pentyl-6-propylpiperazine-2,5-dione
SMILESCCCCCN1C(=O)C(C(C)(C)C)NC(=O)C1CCC
InChIInChI=1S/C16H30N2O2/c1-6-8-9-11-18-12(10-7-2)14(19)17-13(15(18)20)16(3,4)5/h12-13H,6-11H2,1-5H3,(H,17,19)
InChIKeyPLQZDWOAULVIFH-UHFFFAOYSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

Computed Properties (RDKit)

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

Analyze 3-tert-butyl-1-pentyl-6-propylpiperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-pentyl-6-propylpiperazine-2,5-dione?
The IUPAC name of 3-tert-butyl-1-pentyl-6-propylpiperazine-2,5-dione (CID 64901503) is 3-tert-butyl-1-pentyl-6-propylpiperazine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-1-pentyl-6-propylpiperazine-2,5-dione?
The canonical SMILES for 3-tert-butyl-1-pentyl-6-propylpiperazine-2,5-dione is CCCCCN1C(=O)C(C(C)(C)C)NC(=O)C1CCC.
What is the InChIKey of 3-tert-butyl-1-pentyl-6-propylpiperazine-2,5-dione?
The InChIKey is PLQZDWOAULVIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-6-8-9-11-18-12(10-7-2)14(19)17-13(15(18)20)16(3,4)5/h12-13H,6-11H2,1-5H3,(H,17,19).
What are the key properties of 3-tert-butyl-1-pentyl-6-propylpiperazine-2,5-dione?
3-tert-butyl-1-pentyl-6-propylpiperazine-2,5-dione has a molecular weight of 282.43 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-pentyl-6-propylpiperazine-2,5-dione is sourced from PubChem (CID 64901503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).