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

C14H24N2O2 — CID 64972368

IUPAC3-methyl-1-[2-(3-methylcyclohexyl)ethyl]piperazine-2,5-dione
SMILESCC1CCCC(CCN2CC(=O)NC(C)C2=O)C1
InChIInChI=1S/C14H24N2O2/c1-10-4-3-5-12(8-10)6-7-16-9-13(17)15-11(2)14(16)18/h10-12H,3-9H2,1-2H3,(H,15,17)
InChIKeyUKECAOSFGVJHGX-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.55
Rot. Bonds3

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

3-methyl-1-[2-(3-methylcyclohexyl)ethyl]piperazine-2,5-dione (PubChem CID 64972368) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-methyl-1-[2-(3-methylcyclohexyl)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-[2-(3-methylcyclohexyl)ethyl]piperazine-2,5-dione
PubChem CID64972368
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3-methyl-1-[2-(3-methylcyclohexyl)ethyl]piperazine-2,5-dione
SMILESCC1CCCC(CCN2CC(=O)NC(C)C2=O)C1
InChIInChI=1S/C14H24N2O2/c1-10-4-3-5-12(8-10)6-7-16-9-13(17)15-11(2)14(16)18/h10-12H,3-9H2,1-2H3,(H,15,17)
InChIKeyUKECAOSFGVJHGX-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

1-(2-cyclopentylethyl)-3-methylpiperazine-2,5-dione
CID 64964119
1-[2-(3-methylcyclohexyl)ethyl]-1,3-diazinan-2-one
CID 115371199
3-methyl-1-[2-(3-methylcyclohexyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64972282
2-cyclopentyl-5-methyl-3-[2-(3-methylcyclohexyl)ethyl]imidazolidin-4-one
CID 83264110
2-methyl-3-[2-(3-methylcyclohexyl)ethyl]-5-(2-methylpropyl)imidazolidin-4-one
CID 83264269
2-[2-(3-methylcyclohexyl)ethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 91646466
3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
CID 65170302
1-(2-cyclohexylethyl)-3,3-dimethylpiperazine-2,5-dione
CID 64964121
3-methyl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione
CID 64880984
1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione
CID 64880925
cis-(1R,3S)-1-methyl-3-propylcyclohexane
CID 154071124
5-[(3-methylcyclohexyl)methyl]pyrrolidin-2-one
CID 104687080

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(3-methylcyclohexyl)ethyl]piperazine-2,5-dione?
The IUPAC name of 3-methyl-1-[2-(3-methylcyclohexyl)ethyl]piperazine-2,5-dione (CID 64972368) is 3-methyl-1-[2-(3-methylcyclohexyl)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 3-methyl-1-[2-(3-methylcyclohexyl)ethyl]piperazine-2,5-dione?
The canonical SMILES for 3-methyl-1-[2-(3-methylcyclohexyl)ethyl]piperazine-2,5-dione is CC1CCCC(CCN2CC(=O)NC(C)C2=O)C1.
What is the InChIKey of 3-methyl-1-[2-(3-methylcyclohexyl)ethyl]piperazine-2,5-dione?
The InChIKey is UKECAOSFGVJHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-10-4-3-5-12(8-10)6-7-16-9-13(17)15-11(2)14(16)18/h10-12H,3-9H2,1-2H3,(H,15,17).
What are the key properties of 3-methyl-1-[2-(3-methylcyclohexyl)ethyl]piperazine-2,5-dione?
3-methyl-1-[2-(3-methylcyclohexyl)ethyl]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-methyl-1-[2-(3-methylcyclohexyl)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 64972368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).