3-cyclopropyl-1-(2-ethylhexyl)-3,6-dimethylpiperazine-2,5-dione

C17H30N2O2 — CID 64885751

IUPAC3-cyclopropyl-1-(2-ethylhexyl)-3,6-dimethylpiperazine-2,5-dione
SMILESCCCCC(CC)CN1C(=O)C(C)(C2CC2)NC(=O)C1C
InChIInChI=1S/C17H30N2O2/c1-5-7-8-13(6-2)11-19-12(3)15(20)18-17(4,16(19)21)14-9-10-14/h12-14H,5-11H2,1-4H3,(H,18,20)
InChIKeyCKWQEHNLJOLCCH-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.72
Rot. Bonds7

About 3-cyclopropyl-1-(2-ethylhexyl)-3,6-dimethylpiperazine-2,5-dione

3-cyclopropyl-1-(2-ethylhexyl)-3,6-dimethylpiperazine-2,5-dione (PubChem CID 64885751) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2-ethylhexyl)-3,6-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-(2-ethylhexyl)-3,6-dimethylpiperazine-2,5-dione
PubChem CID64885751
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name3-cyclopropyl-1-(2-ethylhexyl)-3,6-dimethylpiperazine-2,5-dione
SMILESCCCCC(CC)CN1C(=O)C(C)(C2CC2)NC(=O)C1C
InChIInChI=1S/C17H30N2O2/c1-5-7-8-13(6-2)11-19-12(3)15(20)18-17(4,16(19)21)14-9-10-14/h12-14H,5-11H2,1-4H3,(H,18,20)
InChIKeyCKWQEHNLJOLCCH-UHFFFAOYSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-(2-ethylhexyl)-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64885340
3-cyclopropyl-1-heptan-2-yl-3,6-dimethylpiperazine-2,5-dione
CID 64964376
1-(cyclopentylmethyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
CID 64887277
1-(2-ethylhexyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 64872963
1-butyl-3-cyclopropyl-3-methyl-6-propylpiperazine-2,5-dione
CID 64887854
6-ethyl-1-(2-ethylhexyl)-3-methylpiperazine-2,5-dione
CID 64873285
3-cyclopropyl-3,6-dimethyl-1-(thiolan-2-ylmethyl)piperazine-2,5-dione
CID 80587066
1-(2-ethylhexyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64873494
3-cyclopropyl-1-[3-(2-methoxyethoxy)propyl]-3,6-dimethylpiperazine-2,5-dione
CID 103414802
3-cyclopropyl-3,6-dimethyl-1-(thian-2-ylmethyl)piperazine-2,5-dione
CID 80613039
3-cyclopropyl-1-(3-ethylpentan-3-yl)-3,6-dimethylpiperazine-2,5-dione
CID 65043459
6-butan-2-yl-3-cyclopropyl-1-ethyl-3-methylpiperazine-2,5-dione
CID 64887094

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2-ethylhexyl)-3,6-dimethylpiperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-(2-ethylhexyl)-3,6-dimethylpiperazine-2,5-dione (CID 64885751) is 3-cyclopropyl-1-(2-ethylhexyl)-3,6-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-(2-ethylhexyl)-3,6-dimethylpiperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-(2-ethylhexyl)-3,6-dimethylpiperazine-2,5-dione is CCCCC(CC)CN1C(=O)C(C)(C2CC2)NC(=O)C1C.
What is the InChIKey of 3-cyclopropyl-1-(2-ethylhexyl)-3,6-dimethylpiperazine-2,5-dione?
The InChIKey is CKWQEHNLJOLCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-5-7-8-13(6-2)11-19-12(3)15(20)18-17(4,16(19)21)14-9-10-14/h12-14H,5-11H2,1-4H3,(H,18,20).
What are the key properties of 3-cyclopropyl-1-(2-ethylhexyl)-3,6-dimethylpiperazine-2,5-dione?
3-cyclopropyl-1-(2-ethylhexyl)-3,6-dimethylpiperazine-2,5-dione has a molecular weight of 294.44 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2-ethylhexyl)-3,6-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 64885751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).