3-cyclopropyl-1,6-dipropylpiperazine-2,5-dione

C13H22N2O2 — CID 64886190

IUPAC3-cyclopropyl-1,6-dipropylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(C2CC2)C(=O)N1CCC
InChIInChI=1S/C13H22N2O2/c1-3-5-10-12(16)14-11(9-6-7-9)13(17)15(10)8-4-2/h9-11H,3-8H2,1-2H3,(H,14,16)
InChIKeyATGJCBLOYWCUJT-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.30
Rot. Bonds5

About 3-cyclopropyl-1,6-dipropylpiperazine-2,5-dione

3-cyclopropyl-1,6-dipropylpiperazine-2,5-dione (PubChem CID 64886190) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-cyclopropyl-1,6-dipropylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1,6-dipropylpiperazine-2,5-dione
PubChem CID64886190
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3-cyclopropyl-1,6-dipropylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(C2CC2)C(=O)N1CCC
InChIInChI=1S/C13H22N2O2/c1-3-5-10-12(16)14-11(9-6-7-9)13(17)15(10)8-4-2/h9-11H,3-8H2,1-2H3,(H,14,16)
InChIKeyATGJCBLOYWCUJT-UHFFFAOYSA-N
XLogP1.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-1-(4-methylpentyl)-6-propylpiperazine-2,5-dione
CID 83168014
3-cyclopropyl-1-(3-methoxy-3-methylbutyl)-6-propylpiperazine-2,5-dione
CID 103016949
3-cyclopropyl-1-(2-ethylbutyl)-6-propylpiperazine-2,5-dione
CID 82934654
1-[(E)-but-2-enyl]-3-cyclopropyl-6-propylpiperazine-2,5-dione
CID 114013993
3-cyclohexyl-1-(2-methoxyethyl)-6-propylpiperazine-2,5-dione
CID 64885264
1,3,6-tripropylpiperazine-2,5-dione
CID 64873955
1-[(3-bromothiophen-2-yl)methyl]-3-cyclopropyl-6-propylpiperazine-2,5-dione
CID 64885436
3-cyclopropyl-7-methyl-1-propyl-1,4-diazepane-2,5-dione
CID 64882100
1-but-3-ynyl-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 64972450
3-cyclopropyl-6-ethyl-1-(2-methylsulfonylethyl)piperazine-2,5-dione
CID 64884857
1-but-3-enyl-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 113466174
3-cyclopropyl-6-ethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione
CID 106002965

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1,6-dipropylpiperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1,6-dipropylpiperazine-2,5-dione (CID 64886190) is 3-cyclopropyl-1,6-dipropylpiperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1,6-dipropylpiperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1,6-dipropylpiperazine-2,5-dione is CCCC1C(=O)NC(C2CC2)C(=O)N1CCC.
What is the InChIKey of 3-cyclopropyl-1,6-dipropylpiperazine-2,5-dione?
The InChIKey is ATGJCBLOYWCUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-5-10-12(16)14-11(9-6-7-9)13(17)15(10)8-4-2/h9-11H,3-8H2,1-2H3,(H,14,16).
What are the key properties of 3-cyclopropyl-1,6-dipropylpiperazine-2,5-dione?
3-cyclopropyl-1,6-dipropylpiperazine-2,5-dione has a molecular weight of 238.33 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1,6-dipropylpiperazine-2,5-dione is sourced from PubChem (CID 64886190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).