1-(2,3-dimethylcyclohexyl)-3-(2-methylpropyl)piperazine-2,5-dione

C16H28N2O2 — CID 64959091

IUPAC1-(2,3-dimethylcyclohexyl)-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CC1NC(=O)CN(C2CCCC(C)C2C)C1=O
InChIInChI=1S/C16H28N2O2/c1-10(2)8-13-16(20)18(9-15(19)17-13)14-7-5-6-11(3)12(14)4/h10-14H,5-9H2,1-4H3,(H,17,19)
InChIKeyQWJUVBAQBMPYTP-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.18
Rot. Bonds3

About 1-(2,3-dimethylcyclohexyl)-3-(2-methylpropyl)piperazine-2,5-dione

1-(2,3-dimethylcyclohexyl)-3-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 64959091) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(2,3-dimethylcyclohexyl)-3-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(2,3-dimethylcyclohexyl)-3-(2-methylpropyl)piperazine-2,5-dione
PubChem CID64959091
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-(2,3-dimethylcyclohexyl)-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CC1NC(=O)CN(C2CCCC(C)C2C)C1=O
InChIInChI=1S/C16H28N2O2/c1-10(2)8-13-16(20)18(9-15(19)17-13)14-7-5-6-11(3)12(14)4/h10-14H,5-9H2,1-4H3,(H,17,19)
InChIKeyQWJUVBAQBMPYTP-UHFFFAOYSA-N
XLogP2.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-methylcyclopentyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione
CID 107420963
1-(2,3-dimethylcyclohexyl)-3-ethyl-1,4-diazepane-2,5-dione
CID 64959223
1-(2,3-dimethylcyclohexyl)-3-propyl-1,4-diazepane-2,5-dione
CID 64959174
1-(4,4-dimethylcyclohexyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64972851
1-(3-methoxycyclohexyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64879586
1-(1,1-dioxothian-4-yl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64960905
3-(2,3-dimethylcyclohexyl)-5-methyl-2-(2-methylpropyl)imidazolidin-4-one
CID 83250359
1-(1-cyclopropylethyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64960795
3-(3-ethyl-2-methylcyclopentyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83258722
1-(3-methyl-2-propan-2-ylbutyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 102908614
1-(2-cyclohexyloxyethyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64971621
1-hexyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64879394

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylcyclohexyl)-3-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 1-(2,3-dimethylcyclohexyl)-3-(2-methylpropyl)piperazine-2,5-dione (CID 64959091) is 1-(2,3-dimethylcyclohexyl)-3-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 1-(2,3-dimethylcyclohexyl)-3-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 1-(2,3-dimethylcyclohexyl)-3-(2-methylpropyl)piperazine-2,5-dione is CC(C)CC1NC(=O)CN(C2CCCC(C)C2C)C1=O.
What is the InChIKey of 1-(2,3-dimethylcyclohexyl)-3-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is QWJUVBAQBMPYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-10(2)8-13-16(20)18(9-15(19)17-13)14-7-5-6-11(3)12(14)4/h10-14H,5-9H2,1-4H3,(H,17,19).
What are the key properties of 1-(2,3-dimethylcyclohexyl)-3-(2-methylpropyl)piperazine-2,5-dione?
1-(2,3-dimethylcyclohexyl)-3-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 280.41 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylcyclohexyl)-3-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 64959091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).