6-methyl-1-(2-methylpentan-3-yl)-3-propylpiperazine-2,5-dione

C14H26N2O2 — CID 64964662

IUPAC6-methyl-1-(2-methylpentan-3-yl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)N(C(CC)C(C)C)C1=O
InChIInChI=1S/C14H26N2O2/c1-6-8-11-14(18)16(10(5)13(17)15-11)12(7-2)9(3)4/h9-12H,6-8H2,1-5H3,(H,15,17)
InChIKeyXAVUICPVPLZIQS-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.94
Rot. Bonds5

About 6-methyl-1-(2-methylpentan-3-yl)-3-propylpiperazine-2,5-dione

6-methyl-1-(2-methylpentan-3-yl)-3-propylpiperazine-2,5-dione (PubChem CID 64964662) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 6-methyl-1-(2-methylpentan-3-yl)-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-methyl-1-(2-methylpentan-3-yl)-3-propylpiperazine-2,5-dione
PubChem CID64964662
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name6-methyl-1-(2-methylpentan-3-yl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)N(C(CC)C(C)C)C1=O
InChIInChI=1S/C14H26N2O2/c1-6-8-11-14(18)16(10(5)13(17)15-11)12(7-2)9(3)4/h9-12H,6-8H2,1-5H3,(H,15,17)
InChIKeyXAVUICPVPLZIQS-UHFFFAOYSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-methyl-1-(2-methylpentan-3-yl)-3-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

Related Compounds

6-methyl-1-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64872566
1-hexan-2-yl-6-methyl-3-propylpiperazine-2,5-dione
CID 64969088
1-(1-ethylsulfanylpropan-2-yl)-6-methyl-3-propylpiperazine-2,5-dione
CID 113499375
2-ethyl-3-(2-methylpentan-3-yl)-5-propylimidazolidin-4-one
CID 83245076
6-methyl-1-(2-methylpropyl)-3-propylpiperazine-2,5-dione
CID 64872371
6-methyl-1-[1-(5-methylfuran-2-yl)ethyl]-3-propylpiperazine-2,5-dione
CID 64965569
1-[1-(furan-2-yl)propan-2-yl]-6-methyl-3-propylpiperazine-2,5-dione
CID 64964702
5-butyl-3-(2-methylpentan-3-yl)-2-propylimidazolidin-4-one
CID 83245310
3-(2-methylpentan-3-yl)-5-(2-methylpropyl)-2-propylimidazolidin-4-one
CID 83247146
1-(3-ethylpentan-2-yl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64971646
6-ethyl-1-(2-methylpentan-3-yl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64964823
1-cyclopropyl-6-methyl-3-propylpiperazine-2,5-dione
CID 64958390

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(2-methylpentan-3-yl)-3-propylpiperazine-2,5-dione?
The IUPAC name of 6-methyl-1-(2-methylpentan-3-yl)-3-propylpiperazine-2,5-dione (CID 64964662) is 6-methyl-1-(2-methylpentan-3-yl)-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 6-methyl-1-(2-methylpentan-3-yl)-3-propylpiperazine-2,5-dione?
The canonical SMILES for 6-methyl-1-(2-methylpentan-3-yl)-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(C)N(C(CC)C(C)C)C1=O.
What is the InChIKey of 6-methyl-1-(2-methylpentan-3-yl)-3-propylpiperazine-2,5-dione?
The InChIKey is XAVUICPVPLZIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-6-8-11-14(18)16(10(5)13(17)15-11)12(7-2)9(3)4/h9-12H,6-8H2,1-5H3,(H,15,17).
What are the key properties of 6-methyl-1-(2-methylpentan-3-yl)-3-propylpiperazine-2,5-dione?
6-methyl-1-(2-methylpentan-3-yl)-3-propylpiperazine-2,5-dione has a molecular weight of 254.37 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(2-methylpentan-3-yl)-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64964662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).