1-(4,4-dimethylcyclohexyl)-3-(2-methylpropyl)piperazine-2,5-dione

C16H28N2O2 — CID 64972851

IUPAC1-(4,4-dimethylcyclohexyl)-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CC1NC(=O)CN(C2CCC(C)(C)CC2)C1=O
InChIInChI=1S/C16H28N2O2/c1-11(2)9-13-15(20)18(10-14(19)17-13)12-5-7-16(3,4)8-6-12/h11-13H,5-10H2,1-4H3,(H,17,19)
InChIKeyJVVHEONPFKTDLN-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.33
Rot. Bonds3

About 1-(4,4-dimethylcyclohexyl)-3-(2-methylpropyl)piperazine-2,5-dione

1-(4,4-dimethylcyclohexyl)-3-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 64972851) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexyl)-3-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexyl)-3-(2-methylpropyl)piperazine-2,5-dione
PubChem CID64972851
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-(4,4-dimethylcyclohexyl)-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CC1NC(=O)CN(C2CCC(C)(C)CC2)C1=O
InChIInChI=1S/C16H28N2O2/c1-11(2)9-13-15(20)18(10-14(19)17-13)12-5-7-16(3,4)8-6-12/h11-13H,5-10H2,1-4H3,(H,17,19)
InChIKeyJVVHEONPFKTDLN-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,4-dimethylcyclohexyl)-3-propylpiperazine-2,5-dione
CID 64972911
1-(1,1-dioxothian-4-yl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64960905
1-(3-methoxycyclohexyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64879586
1-(2,3-dimethylcyclohexyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64959091
1-cyclohexyl-3-(2-methylpropyl)-1,4-diazepane-2,5-dione
CID 64958879
1-(1-cyclopropylethyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64960795
1-(3-methyl-2-propan-2-ylbutyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 102908614
1-hexyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64879394
3-(2-methylpropyl)-1-octylpiperazine-2,5-dione
CID 64879391
1-cycloheptyl-3-ethylpiperazine-2,5-dione
CID 64960288
1-(1-methylcyclopentyl)-3-(2-methylpropyl)-1,4-diazepane-2,5-dione
CID 64973589
1-(3-fluorophenyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64956077

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcyclohexyl)-3-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 1-(4,4-dimethylcyclohexyl)-3-(2-methylpropyl)piperazine-2,5-dione (CID 64972851) is 1-(4,4-dimethylcyclohexyl)-3-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 1-(4,4-dimethylcyclohexyl)-3-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 1-(4,4-dimethylcyclohexyl)-3-(2-methylpropyl)piperazine-2,5-dione is CC(C)CC1NC(=O)CN(C2CCC(C)(C)CC2)C1=O.
What is the InChIKey of 1-(4,4-dimethylcyclohexyl)-3-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is JVVHEONPFKTDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-11(2)9-13-15(20)18(10-14(19)17-13)12-5-7-16(3,4)8-6-12/h11-13H,5-10H2,1-4H3,(H,17,19).
What are the key properties of 1-(4,4-dimethylcyclohexyl)-3-(2-methylpropyl)piperazine-2,5-dione?
1-(4,4-dimethylcyclohexyl)-3-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 280.41 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcyclohexyl)-3-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 64972851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).