3-cyclohexyl-6-methyl-1-propan-2-ylpiperazine-2,5-dione

C14H24N2O2 — CID 64887376

IUPAC3-cyclohexyl-6-methyl-1-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)N1C(=O)C(C2CCCCC2)NC(=O)C1C
InChIInChI=1S/C14H24N2O2/c1-9(2)16-10(3)13(17)15-12(14(16)18)11-7-5-4-6-8-11/h9-12H,4-8H2,1-3H3,(H,15,17)
InChIKeyUNUKUMGXFWUWIO-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.69
Rot. Bonds2

About 3-cyclohexyl-6-methyl-1-propan-2-ylpiperazine-2,5-dione

3-cyclohexyl-6-methyl-1-propan-2-ylpiperazine-2,5-dione (PubChem CID 64887376) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-cyclohexyl-6-methyl-1-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclohexyl-6-methyl-1-propan-2-ylpiperazine-2,5-dione
PubChem CID64887376
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3-cyclohexyl-6-methyl-1-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)N1C(=O)C(C2CCCCC2)NC(=O)C1C
InChIInChI=1S/C14H24N2O2/c1-9(2)16-10(3)13(17)15-12(14(16)18)11-7-5-4-6-8-11/h9-12H,4-8H2,1-3H3,(H,15,17)
InChIKeyUNUKUMGXFWUWIO-UHFFFAOYSA-N
XLogP1.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-6-methyl-1-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 3-cyclohexyl-6-methyl-1-propan-2-ylpiperazine-2,5-dione (CID 64887376) is 3-cyclohexyl-6-methyl-1-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 3-cyclohexyl-6-methyl-1-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 3-cyclohexyl-6-methyl-1-propan-2-ylpiperazine-2,5-dione is CC(C)N1C(=O)C(C2CCCCC2)NC(=O)C1C.
What is the InChIKey of 3-cyclohexyl-6-methyl-1-propan-2-ylpiperazine-2,5-dione?
The InChIKey is UNUKUMGXFWUWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-9(2)16-10(3)13(17)15-12(14(16)18)11-7-5-4-6-8-11/h9-12H,4-8H2,1-3H3,(H,15,17).
What are the key properties of 3-cyclohexyl-6-methyl-1-propan-2-ylpiperazine-2,5-dione?
3-cyclohexyl-6-methyl-1-propan-2-ylpiperazine-2,5-dione has a molecular weight of 252.36 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-6-methyl-1-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64887376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).