3-methyl-1-[2-(3-methylcyclohexyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione

C17H30N2O2 — CID 64972282

IUPAC3-methyl-1-[2-(3-methylcyclohexyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione
SMILESCC1CCCC(CCN2C(=O)C(C)NC(=O)C2C(C)C)C1
InChIInChI=1S/C17H30N2O2/c1-11(2)15-16(20)18-13(4)17(21)19(15)9-8-14-7-5-6-12(3)10-14/h11-15H,5-10H2,1-4H3,(H,18,20)
InChIKeyHJYCMQTVJGBWOA-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.57
Rot. Bonds4

About 3-methyl-1-[2-(3-methylcyclohexyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione

3-methyl-1-[2-(3-methylcyclohexyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 64972282) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 3-methyl-1-[2-(3-methylcyclohexyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-[2-(3-methylcyclohexyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione
PubChem CID64972282
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name3-methyl-1-[2-(3-methylcyclohexyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione
SMILESCC1CCCC(CCN2C(=O)C(C)NC(=O)C2C(C)C)C1
InChIInChI=1S/C17H30N2O2/c1-11(2)15-16(20)18-13(4)17(21)19(15)9-8-14-7-5-6-12(3)10-14/h11-15H,5-10H2,1-4H3,(H,18,20)
InChIKeyHJYCMQTVJGBWOA-UHFFFAOYSA-N
XLogP2.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-5-methyl-3-[2-(3-methylcyclohexyl)ethyl]imidazolidin-4-one
CID 83264110
1-(2-fluoroethyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 80696895
3-methyl-1-[2-(3-methylcyclohexyl)ethyl]piperazine-2,5-dione
CID 64972368
3-methyl-1-[(1-methylpiperidin-4-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64966902
1-(2-cyclopentyloxyethyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64971200
3-methyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64872902
2-methyl-3-[2-(3-methylcyclohexyl)ethyl]-5-(2-methylpropyl)imidazolidin-4-one
CID 83264269
3-methyl-1-(4-methylpentyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64970004
1-(2-methoxypropyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 113383064
3-methyl-6-propan-2-yl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione
CID 64873297
1-[2-(3-methylcyclohexyl)ethyl]-1,3-diazinan-2-one
CID 115371199
3-methyl-6-propan-2-yl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64874284

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(3-methylcyclohexyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 3-methyl-1-[2-(3-methylcyclohexyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione (CID 64972282) is 3-methyl-1-[2-(3-methylcyclohexyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 3-methyl-1-[2-(3-methylcyclohexyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 3-methyl-1-[2-(3-methylcyclohexyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione is CC1CCCC(CCN2C(=O)C(C)NC(=O)C2C(C)C)C1.
What is the InChIKey of 3-methyl-1-[2-(3-methylcyclohexyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is HJYCMQTVJGBWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-11(2)15-16(20)18-13(4)17(21)19(15)9-8-14-7-5-6-12(3)10-14/h11-15H,5-10H2,1-4H3,(H,18,20).
What are the key properties of 3-methyl-1-[2-(3-methylcyclohexyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione?
3-methyl-1-[2-(3-methylcyclohexyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 294.44 g/mol, XLogP of 2.57, 4 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]-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64972282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).