1-(3,5-dimethylcyclohexyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione

C17H30N2O2 — CID 64973712

IUPAC1-(3,5-dimethylcyclohexyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C(C)C)N(C2CC(C)CC(C)C2)C1=O
InChIInChI=1S/C17H30N2O2/c1-6-14-17(21)19(15(10(2)3)16(20)18-14)13-8-11(4)7-12(5)9-13/h10-15H,6-9H2,1-5H3,(H,18,20)
InChIKeyICGHKYIWTXNQEK-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.57
Rot. Bonds3

About 1-(3,5-dimethylcyclohexyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione

1-(3,5-dimethylcyclohexyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 64973712) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohexyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohexyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione
PubChem CID64973712
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1-(3,5-dimethylcyclohexyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C(C)C)N(C2CC(C)CC(C)C2)C1=O
InChIInChI=1S/C17H30N2O2/c1-6-14-17(21)19(15(10(2)3)16(20)18-14)13-8-11(4)7-12(5)9-13/h10-15H,6-9H2,1-5H3,(H,18,20)
InChIKeyICGHKYIWTXNQEK-UHFFFAOYSA-N
XLogP2.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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 1-(3,5-dimethylcyclohexyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione with MolForge

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Related Compounds

3-ethyl-6-propan-2-yl-1-(2,2,3,3-tetramethylcyclopropyl)piperazine-2,5-dione
CID 79351077
3-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 80731819
1-(2-methylcyclopropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64969350
1-cycloheptyl-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64959767
1-(2,2-dimethylcyclopentyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione
CID 79878827
3-ethyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64901263
3-ethyl-1-(3-methylbutan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 64959747
3-ethyl-6-methyl-1-(4-methylcyclohexyl)piperazine-2,5-dione
CID 64958926
1-(2,3-dimethylcyclopentyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64973429
1-cyclopentyl-3-ethyl-6-methylpiperazine-2,5-dione
CID 64958453
3-ethyl-1-[(5-methyloxolan-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 103141807
3-ethyl-1-(1-methylcyclohexyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64968282

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohexyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-(3,5-dimethylcyclohexyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione (CID 64973712) is 1-(3,5-dimethylcyclohexyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3,5-dimethylcyclohexyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-(3,5-dimethylcyclohexyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione is CCC1NC(=O)C(C(C)C)N(C2CC(C)CC(C)C2)C1=O.
What is the InChIKey of 1-(3,5-dimethylcyclohexyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is ICGHKYIWTXNQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-6-14-17(21)19(15(10(2)3)16(20)18-14)13-8-11(4)7-12(5)9-13/h10-15H,6-9H2,1-5H3,(H,18,20).
What are the key properties of 1-(3,5-dimethylcyclohexyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione?
1-(3,5-dimethylcyclohexyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 294.44 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohexyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64973712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).