1-(1-methoxypropan-2-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione

C13H24N2O3 — CID 64956777

IUPAC1-(1-methoxypropan-2-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCOCC(C)N1C(=O)C(CC(C)C)NC(=O)C1C
InChIInChI=1S/C13H24N2O3/c1-8(2)6-11-13(17)15(9(3)7-18-5)10(4)12(16)14-11/h8-11H,6-7H2,1-5H3,(H,14,16)
InChIKeySUHNLRGMXMLLFE-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.78
Rot. Bonds5

About 1-(1-methoxypropan-2-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione

1-(1-methoxypropan-2-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 64956777) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
PubChem CID64956777
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-(1-methoxypropan-2-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCOCC(C)N1C(=O)C(CC(C)C)NC(=O)C1C
InChIInChI=1S/C13H24N2O3/c1-8(2)6-11-13(17)15(9(3)7-18-5)10(4)12(16)14-11/h8-11H,6-7H2,1-5H3,(H,14,16)
InChIKeySUHNLRGMXMLLFE-UHFFFAOYSA-N
XLogP0.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxybutan-2-yl)-7-methyl-3-(2-methylpropyl)-1,4-diazepane-2,5-dione
CID 116500153
6-methyl-1,3-bis(2-methylpropyl)piperazine-2,5-dione
CID 64900761
1-(3-ethoxypropyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64959221
1-(1-methoxypropan-2-yl)-3,3,6-trimethylpiperazine-2,5-dione
CID 64956607
1-(3-ethylpentan-3-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 65043356
6-methyl-3-(2-methylpropyl)-1-(1-pyridin-3-ylethyl)piperazine-2,5-dione
CID 64963120
3-ethyl-1-(4-methoxybutan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 64973083
1-(3-methoxy-2-methylpropyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64968689
3-(1-methoxypropan-2-yl)-2-methyl-5-propylimidazolidin-4-one
CID 83240070
(3R,6S)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
CID 23278156
3-(1-ethoxypropan-2-yl)-2-methyl-5-(2-methylpropyl)imidazolidin-4-one
CID 83246403
1-(1-ethoxypropan-2-yl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64967279

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 1-(1-methoxypropan-2-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione (CID 64956777) is 1-(1-methoxypropan-2-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione is COCC(C)N1C(=O)C(CC(C)C)NC(=O)C1C.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is SUHNLRGMXMLLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-8(2)6-11-13(17)15(9(3)7-18-5)10(4)12(16)14-11/h8-11H,6-7H2,1-5H3,(H,14,16).
What are the key properties of 1-(1-methoxypropan-2-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione?
1-(1-methoxypropan-2-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 256.35 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 64956777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).