1-(2-ethylhexyl)-3-propan-2-ylpiperazine-2,5-dione

C15H28N2O2 — CID 64880912

IUPAC1-(2-ethylhexyl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCCCCC(CC)CN1CC(=O)NC(C(C)C)C1=O
InChIInChI=1S/C15H28N2O2/c1-5-7-8-12(6-2)9-17-10-13(18)16-14(11(3)4)15(17)19/h11-12,14H,5-10H2,1-4H3,(H,16,18)
InChIKeyPEZRNXIDBIACDV-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.19
Rot. Bonds7

About 1-(2-ethylhexyl)-3-propan-2-ylpiperazine-2,5-dione

1-(2-ethylhexyl)-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 64880912) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(2-ethylhexyl)-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-ethylhexyl)-3-propan-2-ylpiperazine-2,5-dione
PubChem CID64880912
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-(2-ethylhexyl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCCCCC(CC)CN1CC(=O)NC(C(C)C)C1=O
InChIInChI=1S/C15H28N2O2/c1-5-7-8-12(6-2)9-17-10-13(18)16-14(11(3)4)15(17)19/h11-12,14H,5-10H2,1-4H3,(H,16,18)
InChIKeyPEZRNXIDBIACDV-UHFFFAOYSA-N
XLogP2.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-1-(2-ethylhexyl)piperazine-2,5-dione
CID 64879426
1-(2-methylbutyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64879559
3-amino-1-(2-ethylhexyl)azetidin-2-one
CID 107819375
1-(2-ethylhexyl)imidazolidin-2-one
CID 107819225
3-butan-2-yl-1-pentylpiperazine-2,5-dione
CID 64881502
1-pentan-2-yl-3-propan-2-ylpiperazine-2,5-dione
CID 64957214
3-propan-2-yl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine-2,5-dione
CID 79350115
1-(2-fluoroethyl)-3-propan-2-ylpiperazine-2,5-dione
CID 80697304
1-(2,2-dimethylbutyl)-3-propan-2-ylpiperazine-2,5-dione
CID 103465478
3-methyl-1-(2-methylbutyl)piperazine-2,5-dione
CID 64881374
1-(3-methylbut-2-enyl)-3-propan-2-ylpiperazine-2,5-dione
CID 107902421
3-(2-ethylhexyl)imidazolidin-4-one
CID 107819301

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexyl)-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-(2-ethylhexyl)-3-propan-2-ylpiperazine-2,5-dione (CID 64880912) is 1-(2-ethylhexyl)-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-ethylhexyl)-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-ethylhexyl)-3-propan-2-ylpiperazine-2,5-dione is CCCCC(CC)CN1CC(=O)NC(C(C)C)C1=O.
What is the InChIKey of 1-(2-ethylhexyl)-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is PEZRNXIDBIACDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-5-7-8-12(6-2)9-17-10-13(18)16-14(11(3)4)15(17)19/h11-12,14H,5-10H2,1-4H3,(H,16,18).
What are the key properties of 1-(2-ethylhexyl)-3-propan-2-ylpiperazine-2,5-dione?
1-(2-ethylhexyl)-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 268.40 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexyl)-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64880912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).