1-(2-cyclohexylethyl)-3,3-dimethylpiperazine-2,5-dione

C14H24N2O2 — CID 64964121

IUPAC1-(2-cyclohexylethyl)-3,3-dimethylpiperazine-2,5-dione
SMILESCC1(C)NC(=O)CN(CCC2CCCCC2)C1=O
InChIInChI=1S/C14H24N2O2/c1-14(2)13(18)16(10-12(17)15-14)9-8-11-6-4-3-5-7-11/h11H,3-10H2,1-2H3,(H,15,17)
InChIKeyIJQABJDCMYFFPE-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.69
Rot. Bonds3

About 1-(2-cyclohexylethyl)-3,3-dimethylpiperazine-2,5-dione

1-(2-cyclohexylethyl)-3,3-dimethylpiperazine-2,5-dione (PubChem CID 64964121) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-3,3-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-3,3-dimethylpiperazine-2,5-dione
PubChem CID64964121
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-(2-cyclohexylethyl)-3,3-dimethylpiperazine-2,5-dione
SMILESCC1(C)NC(=O)CN(CCC2CCCCC2)C1=O
InChIInChI=1S/C14H24N2O2/c1-14(2)13(18)16(10-12(17)15-14)9-8-11-6-4-3-5-7-11/h11H,3-10H2,1-2H3,(H,15,17)
InChIKeyIJQABJDCMYFFPE-UHFFFAOYSA-N
XLogP1.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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 1-(2-cyclohexylethyl)-3,3-dimethylpiperazine-2,5-dione?
The IUPAC name of 1-(2-cyclohexylethyl)-3,3-dimethylpiperazine-2,5-dione (CID 64964121) is 1-(2-cyclohexylethyl)-3,3-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-cyclohexylethyl)-3,3-dimethylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-cyclohexylethyl)-3,3-dimethylpiperazine-2,5-dione is CC1(C)NC(=O)CN(CCC2CCCCC2)C1=O.
What is the InChIKey of 1-(2-cyclohexylethyl)-3,3-dimethylpiperazine-2,5-dione?
The InChIKey is IJQABJDCMYFFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-14(2)13(18)16(10-12(17)15-14)9-8-11-6-4-3-5-7-11/h11H,3-10H2,1-2H3,(H,15,17).
What are the key properties of 1-(2-cyclohexylethyl)-3,3-dimethylpiperazine-2,5-dione?
1-(2-cyclohexylethyl)-3,3-dimethylpiperazine-2,5-dione has a molecular weight of 252.36 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-3,3-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 64964121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).