3,6-dicyclopropyl-1,3-dimethylpiperazine-2,5-dione

C12H18N2O2 — CID 64886906

IUPAC3,6-dicyclopropyl-1,3-dimethylpiperazine-2,5-dione
SMILESCN1C(=O)C(C)(C2CC2)NC(=O)C1C1CC1
InChIInChI=1S/C12H18N2O2/c1-12(8-5-6-8)11(16)14(2)9(7-3-4-7)10(15)13-12/h7-9H,3-6H2,1-2H3,(H,13,15)
InChIKeyCBCDLSWKDKLRNY-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.52
Rot. Bonds2

About 3,6-dicyclopropyl-1,3-dimethylpiperazine-2,5-dione

3,6-dicyclopropyl-1,3-dimethylpiperazine-2,5-dione (PubChem CID 64886906) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3,6-dicyclopropyl-1,3-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name3,6-dicyclopropyl-1,3-dimethylpiperazine-2,5-dione
PubChem CID64886906
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3,6-dicyclopropyl-1,3-dimethylpiperazine-2,5-dione
SMILESCN1C(=O)C(C)(C2CC2)NC(=O)C1C1CC1
InChIInChI=1S/C12H18N2O2/c1-12(8-5-6-8)11(16)14(2)9(7-3-4-7)10(15)13-12/h7-9H,3-6H2,1-2H3,(H,13,15)
InChIKeyCBCDLSWKDKLRNY-UHFFFAOYSA-N
XLogP0.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-dicyclopropyl-1-(2-methoxyethyl)-3-methylpiperazine-2,5-dione
CID 64886143
3,6-dicyclopropyl-3-methyl-1-(4-methylpentyl)piperazine-2,5-dione
CID 83149405
1-[(E)-but-2-enyl]-3,6-dicyclopropyl-3-methylpiperazine-2,5-dione
CID 107898352
3-cyclopropyl-3-methyl-1,6-dipropylpiperazine-2,5-dione
CID 64886332
3-cyclopropyl-3,6-dimethyl-1-(2-methylcyclopropyl)piperazine-2,5-dione
CID 64969515
3,5-dicyclopropyl-5-methylimidazolidine-2,4-dione
CID 64669282
3-cyclopropyl-1-(3-ethylpentan-3-yl)-3,6-dimethylpiperazine-2,5-dione
CID 65043459
3-cyclopropyl-6-ethyl-1-(2-ethylsulfonylethyl)-3-methylpiperazine-2,5-dione
CID 106733614
1-butyl-3-cyclopropyl-3-methyl-6-propylpiperazine-2,5-dione
CID 64887854
3-cyclopropyl-6-ethyl-3-methyl-1-pentan-3-ylpiperazine-2,5-dione
CID 64958165
1-(cyclopentylmethyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
CID 64887277
6-cyclopropyl-1-(3,3-dimethylbutyl)-3,3-dimethylpiperazine-2,5-dione
CID 64903708

Frequently Asked Questions

What is the IUPAC name of 3,6-dicyclopropyl-1,3-dimethylpiperazine-2,5-dione?
The IUPAC name of 3,6-dicyclopropyl-1,3-dimethylpiperazine-2,5-dione (CID 64886906) is 3,6-dicyclopropyl-1,3-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 3,6-dicyclopropyl-1,3-dimethylpiperazine-2,5-dione?
The canonical SMILES for 3,6-dicyclopropyl-1,3-dimethylpiperazine-2,5-dione is CN1C(=O)C(C)(C2CC2)NC(=O)C1C1CC1.
What is the InChIKey of 3,6-dicyclopropyl-1,3-dimethylpiperazine-2,5-dione?
The InChIKey is CBCDLSWKDKLRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-12(8-5-6-8)11(16)14(2)9(7-3-4-7)10(15)13-12/h7-9H,3-6H2,1-2H3,(H,13,15).
What are the key properties of 3,6-dicyclopropyl-1,3-dimethylpiperazine-2,5-dione?
3,6-dicyclopropyl-1,3-dimethylpiperazine-2,5-dione has a molecular weight of 222.29 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dicyclopropyl-1,3-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 64886906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).