1-cycloheptyl-3-(4-methylphenyl)-4-propylpiperazine-2,5-dione

C21H30N2O2 — CID 3384670

IUPAC1-cycloheptyl-3-(4-methylphenyl)-4-propylpiperazine-2,5-dione
SMILESCCCN1C(=O)CN(C2CCCCCC2)C(=O)C1c1ccc(C)cc1
InChIInChI=1S/C21H30N2O2/c1-3-14-22-19(24)15-23(18-8-6-4-5-7-9-18)21(25)20(22)17-12-10-16(2)11-13-17/h10-13,18,20H,3-9,14-15H2,1-2H3
InChIKeyDHPOYHPORRQVLA-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.84
Rot. Bonds4

About 1-cycloheptyl-3-(4-methylphenyl)-4-propylpiperazine-2,5-dione

1-cycloheptyl-3-(4-methylphenyl)-4-propylpiperazine-2,5-dione (PubChem CID 3384670) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 1-cycloheptyl-3-(4-methylphenyl)-4-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-cycloheptyl-3-(4-methylphenyl)-4-propylpiperazine-2,5-dione
PubChem CID3384670
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name1-cycloheptyl-3-(4-methylphenyl)-4-propylpiperazine-2,5-dione
SMILESCCCN1C(=O)CN(C2CCCCCC2)C(=O)C1c1ccc(C)cc1
InChIInChI=1S/C21H30N2O2/c1-3-14-22-19(24)15-23(18-8-6-4-5-7-9-18)21(25)20(22)17-12-10-16(2)11-13-17/h10-13,18,20H,3-9,14-15H2,1-2H3
InChIKeyDHPOYHPORRQVLA-UHFFFAOYSA-N
XLogP3.84
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-cycloheptyl-3-(4-methylphenyl)-4-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 1-cycloheptyl-3-(4-methylphenyl)-4-propylpiperazine-2,5-dione?
The IUPAC name of 1-cycloheptyl-3-(4-methylphenyl)-4-propylpiperazine-2,5-dione (CID 3384670) is 1-cycloheptyl-3-(4-methylphenyl)-4-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-cycloheptyl-3-(4-methylphenyl)-4-propylpiperazine-2,5-dione?
The canonical SMILES for 1-cycloheptyl-3-(4-methylphenyl)-4-propylpiperazine-2,5-dione is CCCN1C(=O)CN(C2CCCCCC2)C(=O)C1c1ccc(C)cc1.
What is the InChIKey of 1-cycloheptyl-3-(4-methylphenyl)-4-propylpiperazine-2,5-dione?
The InChIKey is DHPOYHPORRQVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-3-14-22-19(24)15-23(18-8-6-4-5-7-9-18)21(25)20(22)17-12-10-16(2)11-13-17/h10-13,18,20H,3-9,14-15H2,1-2H3.
What are the key properties of 1-cycloheptyl-3-(4-methylphenyl)-4-propylpiperazine-2,5-dione?
1-cycloheptyl-3-(4-methylphenyl)-4-propylpiperazine-2,5-dione has a molecular weight of 342.48 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-(4-methylphenyl)-4-propylpiperazine-2,5-dione is sourced from PubChem (CID 3384670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).