3,6-bis(7-aminohept-1-en-4-yl)piperazine-2,5-dione

C18H32N4O2 — CID 67260370

IUPAC3,6-bis(7-aminohept-1-en-4-yl)piperazine-2,5-dione
SMILESC=CCC(CCCN)C1NC(=O)C(C(CC=C)CCCN)NC1=O
InChIInChI=1S/C18H32N4O2/c1-3-7-13(9-5-11-19)15-17(23)22-16(18(24)21-15)14(8-4-2)10-6-12-20/h3-4,13-16H,1-2,5-12,19-20H2,(H,21,24)(H,22,23)
InChIKeyLPIOJWLNUGTSMH-UHFFFAOYSA-N
MW336.48 g/mol
LogP0.83
Rot. Bonds12

About 3,6-bis(7-aminohept-1-en-4-yl)piperazine-2,5-dione

3,6-bis(7-aminohept-1-en-4-yl)piperazine-2,5-dione (PubChem CID 67260370) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 3,6-bis(7-aminohept-1-en-4-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,6-bis(7-aminohept-1-en-4-yl)piperazine-2,5-dione
PubChem CID67260370
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC Name3,6-bis(7-aminohept-1-en-4-yl)piperazine-2,5-dione
SMILESC=CCC(CCCN)C1NC(=O)C(C(CC=C)CCCN)NC1=O
InChIInChI=1S/C18H32N4O2/c1-3-7-13(9-5-11-19)15-17(23)22-16(18(24)21-15)14(8-4-2)10-6-12-20/h3-4,13-16H,1-2,5-12,19-20H2,(H,21,24)(H,22,23)
InChIKeyLPIOJWLNUGTSMH-UHFFFAOYSA-N
XLogP0.83
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 50.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,6-bis(7-aminohept-1-en-4-yl)piperazine-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 3,6-bis(7-aminohept-1-en-4-yl)piperazine-2,5-dione?
The IUPAC name of 3,6-bis(7-aminohept-1-en-4-yl)piperazine-2,5-dione (CID 67260370) is 3,6-bis(7-aminohept-1-en-4-yl)piperazine-2,5-dione.
What is the SMILES notation for 3,6-bis(7-aminohept-1-en-4-yl)piperazine-2,5-dione?
The canonical SMILES for 3,6-bis(7-aminohept-1-en-4-yl)piperazine-2,5-dione is C=CCC(CCCN)C1NC(=O)C(C(CC=C)CCCN)NC1=O.
What is the InChIKey of 3,6-bis(7-aminohept-1-en-4-yl)piperazine-2,5-dione?
The InChIKey is LPIOJWLNUGTSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-3-7-13(9-5-11-19)15-17(23)22-16(18(24)21-15)14(8-4-2)10-6-12-20/h3-4,13-16H,1-2,5-12,19-20H2,(H,21,24)(H,22,23).
What are the key properties of 3,6-bis(7-aminohept-1-en-4-yl)piperazine-2,5-dione?
3,6-bis(7-aminohept-1-en-4-yl)piperazine-2,5-dione has a molecular weight of 336.48 g/mol, XLogP of 0.83, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(7-aminohept-1-en-4-yl)piperazine-2,5-dione is sourced from PubChem (CID 67260370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).