1-(cyclohexylmethyl)-4-ethylpiperazine-2,5-dione

C13H22N2O2 — CID 20641708

IUPAC1-(cyclohexylmethyl)-4-ethylpiperazine-2,5-dione
SMILESCCN1CC(=O)N(CC2CCCCC2)CC1=O
InChIInChI=1S/C13H22N2O2/c1-2-14-9-13(17)15(10-12(14)16)8-11-6-4-3-5-7-11/h11H,2-10H2,1H3
InChIKeyPVUHDYWUCFJGBZ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.26
Rot. Bonds3

About 1-(cyclohexylmethyl)-4-ethylpiperazine-2,5-dione

1-(cyclohexylmethyl)-4-ethylpiperazine-2,5-dione (PubChem CID 20641708) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-4-ethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-4-ethylpiperazine-2,5-dione
PubChem CID20641708
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-(cyclohexylmethyl)-4-ethylpiperazine-2,5-dione
SMILESCCN1CC(=O)N(CC2CCCCC2)CC1=O
InChIInChI=1S/C13H22N2O2/c1-2-14-9-13(17)15(10-12(14)16)8-11-6-4-3-5-7-11/h11H,2-10H2,1H3
InChIKeyPVUHDYWUCFJGBZ-UHFFFAOYSA-N
XLogP1.26
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-4-ethylpiperazine-2,5-dione?
The IUPAC name of 1-(cyclohexylmethyl)-4-ethylpiperazine-2,5-dione (CID 20641708) is 1-(cyclohexylmethyl)-4-ethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(cyclohexylmethyl)-4-ethylpiperazine-2,5-dione?
The canonical SMILES for 1-(cyclohexylmethyl)-4-ethylpiperazine-2,5-dione is CCN1CC(=O)N(CC2CCCCC2)CC1=O.
What is the InChIKey of 1-(cyclohexylmethyl)-4-ethylpiperazine-2,5-dione?
The InChIKey is PVUHDYWUCFJGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-2-14-9-13(17)15(10-12(14)16)8-11-6-4-3-5-7-11/h11H,2-10H2,1H3.
What are the key properties of 1-(cyclohexylmethyl)-4-ethylpiperazine-2,5-dione?
1-(cyclohexylmethyl)-4-ethylpiperazine-2,5-dione has a molecular weight of 238.33 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-4-ethylpiperazine-2,5-dione is sourced from PubChem (CID 20641708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).