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

C17H30N2O2 — CID 64967164

IUPAC6-ethyl-1-[(2-methylcyclohexyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C(C)C)C(=O)N1CC1CCCCC1C
InChIInChI=1S/C17H30N2O2/c1-5-14-16(20)18-15(11(2)3)17(21)19(14)10-13-9-7-6-8-12(13)4/h11-15H,5-10H2,1-4H3,(H,18,20)
InChIKeyUBXZKPQQZVCOAE-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.57
Rot. Bonds4

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

6-ethyl-1-[(2-methylcyclohexyl)methyl]-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 64967164) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 6-ethyl-1-[(2-methylcyclohexyl)methyl]-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-1-[(2-methylcyclohexyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
PubChem CID64967164
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name6-ethyl-1-[(2-methylcyclohexyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C(C)C)C(=O)N1CC1CCCCC1C
InChIInChI=1S/C17H30N2O2/c1-5-14-16(20)18-15(11(2)3)17(21)19(14)10-13-9-7-6-8-12(13)4/h11-15H,5-10H2,1-4H3,(H,18,20)
InChIKeyUBXZKPQQZVCOAE-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

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

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Related Compounds

6-ethyl-1-[(2-methylcyclopropyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 113464219
6-ethyl-1-[(3-methylcyclopentyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 107415616
3-[(2-methylcyclohexyl)methyl]-5-propan-2-yl-2-propylimidazolidin-4-one
CID 83256565
5-methyl-3-[(2-methylcyclohexyl)methyl]-2-propan-2-ylimidazolidin-4-one
CID 83256159
1-[(1,1-dioxothiolan-3-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64968952
1-cycloheptyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64960299
1-(cyclopentylmethyl)-6-(2-methylpropyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64873014
1-cyclobutyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64969387
6-ethyl-1-(2-methylpentyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64872873
6-ethyl-1-(3-methoxypropyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64874647
1-(3-ethoxypropyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64959207
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 79232203

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-[(2-methylcyclohexyl)methyl]-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 6-ethyl-1-[(2-methylcyclohexyl)methyl]-3-propan-2-ylpiperazine-2,5-dione (CID 64967164) is 6-ethyl-1-[(2-methylcyclohexyl)methyl]-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-1-[(2-methylcyclohexyl)methyl]-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 6-ethyl-1-[(2-methylcyclohexyl)methyl]-3-propan-2-ylpiperazine-2,5-dione is CCC1C(=O)NC(C(C)C)C(=O)N1CC1CCCCC1C.
What is the InChIKey of 6-ethyl-1-[(2-methylcyclohexyl)methyl]-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is UBXZKPQQZVCOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-5-14-16(20)18-15(11(2)3)17(21)19(14)10-13-9-7-6-8-12(13)4/h11-15H,5-10H2,1-4H3,(H,18,20).
What are the key properties of 6-ethyl-1-[(2-methylcyclohexyl)methyl]-3-propan-2-ylpiperazine-2,5-dione?
6-ethyl-1-[(2-methylcyclohexyl)methyl]-3-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 6-ethyl-1-[(2-methylcyclohexyl)methyl]-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64967164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).