3-cyclopropyl-6-methyl-1-[(2-methylcyclohexyl)methyl]piperazine-2,5-dione

C16H26N2O2 — CID 64967234

IUPAC3-cyclopropyl-6-methyl-1-[(2-methylcyclohexyl)methyl]piperazine-2,5-dione
SMILESCC1CCCCC1CN1C(=O)C(C2CC2)NC(=O)C1C
InChIInChI=1S/C16H26N2O2/c1-10-5-3-4-6-13(10)9-18-11(2)15(19)17-14(16(18)20)12-7-8-12/h10-14H,3-9H2,1-2H3,(H,17,19)
InChIKeyWLWKAAWWWJUWOY-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.94
Rot. Bonds3

About 3-cyclopropyl-6-methyl-1-[(2-methylcyclohexyl)methyl]piperazine-2,5-dione

3-cyclopropyl-6-methyl-1-[(2-methylcyclohexyl)methyl]piperazine-2,5-dione (PubChem CID 64967234) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-cyclopropyl-6-methyl-1-[(2-methylcyclohexyl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-6-methyl-1-[(2-methylcyclohexyl)methyl]piperazine-2,5-dione
PubChem CID64967234
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-cyclopropyl-6-methyl-1-[(2-methylcyclohexyl)methyl]piperazine-2,5-dione
SMILESCC1CCCCC1CN1C(=O)C(C2CC2)NC(=O)C1C
InChIInChI=1S/C16H26N2O2/c1-10-5-3-4-6-13(10)9-18-11(2)15(19)17-14(16(18)20)12-7-8-12/h10-14H,3-9H2,1-2H3,(H,17,19)
InChIKeyWLWKAAWWWJUWOY-UHFFFAOYSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopentylmethyl)-3-cyclopropyl-6-methylpiperazine-2,5-dione
CID 64887134
3-cyclopropyl-6-methyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione
CID 64886563
3-cyclopropyl-1-ethyl-6-methylpiperazine-2,5-dione
CID 64885417
2-cyclopentyl-5-methyl-3-[(2-methylcyclopentyl)methyl]imidazolidin-4-one
CID 107421438
1-[(E)-but-2-enyl]-3-cyclopropyl-6-methylpiperazine-2,5-dione
CID 107898373
3-cyclopropyl-1-(2-methoxyethyl)-6-methylpiperazine-2,5-dione
CID 64887519
(1R,2S,6R,7S)-4-[[(1R,2R)-2-methylcyclohexyl]methyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 130421231
3-cyclopropyl-1-[3-(dimethylamino)propyl]-6-methylpiperazine-2,5-dione
CID 64960096
3-methyl-4-[(2-methylcyclopentyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 107420986
5-methyl-3-[(2-methylcyclohexyl)methyl]-2-propan-2-ylimidazolidin-4-one
CID 83256159
6-ethyl-1-[(2-methylcyclohexyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64967164
3-cyclohexyl-6-methyl-1-pentan-3-ylpiperazine-2,5-dione
CID 64958271

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-methyl-1-[(2-methylcyclohexyl)methyl]piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-6-methyl-1-[(2-methylcyclohexyl)methyl]piperazine-2,5-dione (CID 64967234) is 3-cyclopropyl-6-methyl-1-[(2-methylcyclohexyl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-6-methyl-1-[(2-methylcyclohexyl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-6-methyl-1-[(2-methylcyclohexyl)methyl]piperazine-2,5-dione is CC1CCCCC1CN1C(=O)C(C2CC2)NC(=O)C1C.
What is the InChIKey of 3-cyclopropyl-6-methyl-1-[(2-methylcyclohexyl)methyl]piperazine-2,5-dione?
The InChIKey is WLWKAAWWWJUWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-10-5-3-4-6-13(10)9-18-11(2)15(19)17-14(16(18)20)12-7-8-12/h10-14H,3-9H2,1-2H3,(H,17,19).
What are the key properties of 3-cyclopropyl-6-methyl-1-[(2-methylcyclohexyl)methyl]piperazine-2,5-dione?
3-cyclopropyl-6-methyl-1-[(2-methylcyclohexyl)methyl]piperazine-2,5-dione has a molecular weight of 278.40 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-methyl-1-[(2-methylcyclohexyl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 64967234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).