3-ethyl-1-[(2-methylcyclohexyl)methyl]piperazine-2,5-dione

C14H24N2O2 — CID 64967153

IUPAC3-ethyl-1-[(2-methylcyclohexyl)methyl]piperazine-2,5-dione
SMILESCCC1NC(=O)CN(CC2CCCCC2C)C1=O
InChIInChI=1S/C14H24N2O2/c1-3-12-14(18)16(9-13(17)15-12)8-11-7-5-4-6-10(11)2/h10-12H,3-9H2,1-2H3,(H,15,17)
InChIKeyQPRGSRJUVKQOBL-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.55
Rot. Bonds3

About 3-ethyl-1-[(2-methylcyclohexyl)methyl]piperazine-2,5-dione

3-ethyl-1-[(2-methylcyclohexyl)methyl]piperazine-2,5-dione (PubChem CID 64967153) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-ethyl-1-[(2-methylcyclohexyl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-[(2-methylcyclohexyl)methyl]piperazine-2,5-dione
PubChem CID64967153
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3-ethyl-1-[(2-methylcyclohexyl)methyl]piperazine-2,5-dione
SMILESCCC1NC(=O)CN(CC2CCCCC2C)C1=O
InChIInChI=1S/C14H24N2O2/c1-3-12-14(18)16(9-13(17)15-12)8-11-7-5-4-6-10(11)2/h10-12H,3-9H2,1-2H3,(H,15,17)
InChIKeyQPRGSRJUVKQOBL-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 16745886
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CID 23641167
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CID 53299358
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CID 16338852
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CID 10376940
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CID 44364133
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CID 454736
CID 454736

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(2-methylcyclohexyl)methyl]piperazine-2,5-dione?
The IUPAC name of 3-ethyl-1-[(2-methylcyclohexyl)methyl]piperazine-2,5-dione (CID 64967153) is 3-ethyl-1-[(2-methylcyclohexyl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-1-[(2-methylcyclohexyl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-1-[(2-methylcyclohexyl)methyl]piperazine-2,5-dione is CCC1NC(=O)CN(CC2CCCCC2C)C1=O.
What is the InChIKey of 3-ethyl-1-[(2-methylcyclohexyl)methyl]piperazine-2,5-dione?
The InChIKey is QPRGSRJUVKQOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-3-12-14(18)16(9-13(17)15-12)8-11-7-5-4-6-10(11)2/h10-12H,3-9H2,1-2H3,(H,15,17).
What are the key properties of 3-ethyl-1-[(2-methylcyclohexyl)methyl]piperazine-2,5-dione?
3-ethyl-1-[(2-methylcyclohexyl)methyl]piperazine-2,5-dione has a molecular weight of 252.36 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(2-methylcyclohexyl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 64967153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).