3-cyclopropyl-1-(2-ethylhexyl)piperazine-2,5-dione

C15H26N2O2 — CID 64879426

IUPAC3-cyclopropyl-1-(2-ethylhexyl)piperazine-2,5-dione
SMILESCCCCC(CC)CN1CC(=O)NC(C2CC2)C1=O
InChIInChI=1S/C15H26N2O2/c1-3-5-6-11(4-2)9-17-10-13(18)16-14(15(17)19)12-7-8-12/h11-12,14H,3-10H2,1-2H3,(H,16,18)
InChIKeyBRZCUKWKRZYBQL-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.94
Rot. Bonds7

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

3-cyclopropyl-1-(2-ethylhexyl)piperazine-2,5-dione (PubChem CID 64879426) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2-ethylhexyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-(2-ethylhexyl)piperazine-2,5-dione
PubChem CID64879426
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name3-cyclopropyl-1-(2-ethylhexyl)piperazine-2,5-dione
SMILESCCCCC(CC)CN1CC(=O)NC(C2CC2)C1=O
InChIInChI=1S/C15H26N2O2/c1-3-5-6-11(4-2)9-17-10-13(18)16-14(15(17)19)12-7-8-12/h11-12,14H,3-10H2,1-2H3,(H,16,18)
InChIKeyBRZCUKWKRZYBQL-UHFFFAOYSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylhexyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64880912
3-cyclopropyl-1-(2-methylpropyl)piperazine-2,5-dione
CID 64881556
3-cyclopropyl-1-propylpiperazine-2,5-dione
CID 64879619
3-cyclopropyl-1-hexan-2-ylpiperazine-2,5-dione
CID 64969063
3-amino-1-(2-ethylhexyl)azetidin-2-one
CID 107819375
3-cyclopropyl-1-pentan-3-ylpiperazine-2,5-dione
CID 64958301
1-(2-ethylhexyl)imidazolidin-2-one
CID 107819225
3-cyclohexyl-1-(4-methylpentyl)piperazine-2,5-dione
CID 64970548
3-(2-ethylhexyl)imidazolidin-4-one
CID 107819301
3-cyclopropyl-6-ethyl-1-hexan-2-ylpiperazine-2,5-dione
CID 64968978
3-cyclopropyl-1-hexan-2-yl-6-methylpiperazine-2,5-dione
CID 64969099
3-cyclopropyl-1-propan-2-ylpiperazine-2,5-dione
CID 64879421

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2-ethylhexyl)piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-(2-ethylhexyl)piperazine-2,5-dione (CID 64879426) is 3-cyclopropyl-1-(2-ethylhexyl)piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-(2-ethylhexyl)piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-(2-ethylhexyl)piperazine-2,5-dione is CCCCC(CC)CN1CC(=O)NC(C2CC2)C1=O.
What is the InChIKey of 3-cyclopropyl-1-(2-ethylhexyl)piperazine-2,5-dione?
The InChIKey is BRZCUKWKRZYBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-3-5-6-11(4-2)9-17-10-13(18)16-14(15(17)19)12-7-8-12/h11-12,14H,3-10H2,1-2H3,(H,16,18).
What are the key properties of 3-cyclopropyl-1-(2-ethylhexyl)piperazine-2,5-dione?
3-cyclopropyl-1-(2-ethylhexyl)piperazine-2,5-dione has a molecular weight of 266.38 g/mol, XLogP of 1.94, 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)piperazine-2,5-dione is sourced from PubChem (CID 64879426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).