6-methyl-1-propan-2-yl-3-propylpiperazine-2,5-dione

C11H20N2O2 — CID 64872566

IUPAC6-methyl-1-propan-2-yl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)N(C(C)C)C1=O
InChIInChI=1S/C11H20N2O2/c1-5-6-9-11(15)13(7(2)3)8(4)10(14)12-9/h7-9H,5-6H2,1-4H3,(H,12,14)
InChIKeyOMKUIXLZYBLRSU-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.91
Rot. Bonds3

About 6-methyl-1-propan-2-yl-3-propylpiperazine-2,5-dione

6-methyl-1-propan-2-yl-3-propylpiperazine-2,5-dione (PubChem CID 64872566) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 6-methyl-1-propan-2-yl-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-methyl-1-propan-2-yl-3-propylpiperazine-2,5-dione
PubChem CID64872566
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name6-methyl-1-propan-2-yl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)N(C(C)C)C1=O
InChIInChI=1S/C11H20N2O2/c1-5-6-9-11(15)13(7(2)3)8(4)10(14)12-9/h7-9H,5-6H2,1-4H3,(H,12,14)
InChIKeyOMKUIXLZYBLRSU-UHFFFAOYSA-N
XLogP0.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-1-(2-methylpentan-3-yl)-3-propylpiperazine-2,5-dione
CID 64964662
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
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
1-cyclopropyl-6-methyl-3-propylpiperazine-2,5-dione
CID 64958390
6-methyl-3-propyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione
CID 64966334
1-pentan-2-yl-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64957236
1-(2-fluoroethyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 80698044
1-cyclobutyl-6-methyl-3-propylpiperazine-2,5-dione
CID 64969413
1-(3-ethylpentan-2-yl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64971646

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-propan-2-yl-3-propylpiperazine-2,5-dione?
The IUPAC name of 6-methyl-1-propan-2-yl-3-propylpiperazine-2,5-dione (CID 64872566) is 6-methyl-1-propan-2-yl-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 6-methyl-1-propan-2-yl-3-propylpiperazine-2,5-dione?
The canonical SMILES for 6-methyl-1-propan-2-yl-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(C)N(C(C)C)C1=O.
What is the InChIKey of 6-methyl-1-propan-2-yl-3-propylpiperazine-2,5-dione?
The InChIKey is OMKUIXLZYBLRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-5-6-9-11(15)13(7(2)3)8(4)10(14)12-9/h7-9H,5-6H2,1-4H3,(H,12,14).
What are the key properties of 6-methyl-1-propan-2-yl-3-propylpiperazine-2,5-dione?
6-methyl-1-propan-2-yl-3-propylpiperazine-2,5-dione has a molecular weight of 212.29 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-propan-2-yl-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64872566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).