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

C16H28N2O2 — CID 79878671

IUPAC1-(2,2-dimethylcyclohexyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCC1NC(=O)C(C(C)C)N(C2CCCCC2(C)C)C1=O
InChIInChI=1S/C16H28N2O2/c1-10(2)13-14(19)17-11(3)15(20)18(13)12-8-6-7-9-16(12,4)5/h10-13H,6-9H2,1-5H3,(H,17,19)
InChIKeyDUEGJIUTLXWMEL-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.33
Rot. Bonds2

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

1-(2,2-dimethylcyclohexyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 79878671) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclohexyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2,2-dimethylcyclohexyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
PubChem CID79878671
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-(2,2-dimethylcyclohexyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCC1NC(=O)C(C(C)C)N(C2CCCCC2(C)C)C1=O
InChIInChI=1S/C16H28N2O2/c1-10(2)13-14(19)17-11(3)15(20)18(13)12-8-6-7-9-16(12,4)5/h10-13H,6-9H2,1-5H3,(H,17,19)
InChIKeyDUEGJIUTLXWMEL-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclohexyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-(2,2-dimethylcyclohexyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione (CID 79878671) is 1-(2,2-dimethylcyclohexyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2,2-dimethylcyclohexyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-(2,2-dimethylcyclohexyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione is CC1NC(=O)C(C(C)C)N(C2CCCCC2(C)C)C1=O.
What is the InChIKey of 1-(2,2-dimethylcyclohexyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is DUEGJIUTLXWMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-10(2)13-14(19)17-11(3)15(20)18(13)12-8-6-7-9-16(12,4)5/h10-13H,6-9H2,1-5H3,(H,17,19).
What are the key properties of 1-(2,2-dimethylcyclohexyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
1-(2,2-dimethylcyclohexyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 280.41 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclohexyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 79878671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).