1-(2-ethylhexyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione

C16H30N2O2 — CID 64873494

IUPAC1-(2-ethylhexyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCCCCC(CC)CN1C(=O)C(C)NC(=O)C1C(C)C
InChIInChI=1S/C16H30N2O2/c1-6-8-9-13(7-2)10-18-14(11(3)4)15(19)17-12(5)16(18)20/h11-14H,6-10H2,1-5H3,(H,17,19)
InChIKeyNBBNQTFAXAPIBZ-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.57
Rot. Bonds7

About 1-(2-ethylhexyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione

1-(2-ethylhexyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 64873494) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-(2-ethylhexyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-ethylhexyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
PubChem CID64873494
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-(2-ethylhexyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCCCCC(CC)CN1C(=O)C(C)NC(=O)C1C(C)C
InChIInChI=1S/C16H30N2O2/c1-6-8-9-13(7-2)10-18-14(11(3)4)15(19)17-12(5)16(18)20/h11-14H,6-10H2,1-5H3,(H,17,19)
InChIKeyNBBNQTFAXAPIBZ-UHFFFAOYSA-N
XLogP2.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-ethylhexyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione with MolForge

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Launch Full Analysis

Related Compounds

6-ethyl-1-(2-ethylhexyl)-3-methylpiperazine-2,5-dione
CID 64873285
6-tert-butyl-1-(2-ethylhexyl)-3-methylpiperazine-2,5-dione
CID 64872557
3-methyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64872902
3-methyl-1-(4-methylpentyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64970004
1-(2-methoxypropyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 113383064
1-(2-ethylhexyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 64872963
1-(2-fluoroethyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 80696895
3-cyclopropyl-1-(2-ethylhexyl)-3,6-dimethylpiperazine-2,5-dione
CID 64885751
1-(2-ethylhexyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64880912
3-methyl-1-[(1-methylpiperidin-4-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64966902
3-methyl-6-propan-2-yl-1-(2,2,3,3-tetrafluoropropyl)piperazine-2,5-dione
CID 106290691
3-ethyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64901263

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-(2-ethylhexyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione (CID 64873494) is 1-(2-ethylhexyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-ethylhexyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-ethylhexyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione is CCCCC(CC)CN1C(=O)C(C)NC(=O)C1C(C)C.
What is the InChIKey of 1-(2-ethylhexyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is NBBNQTFAXAPIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-6-8-9-13(7-2)10-18-14(11(3)4)15(19)17-12(5)16(18)20/h11-14H,6-10H2,1-5H3,(H,17,19).
What are the key properties of 1-(2-ethylhexyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
1-(2-ethylhexyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 282.43 g/mol, XLogP of 2.57, 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-methyl-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64873494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).