1-(2,6-dimethylpiperidin-1-yl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone

C16H30N2O — CID 75399387

IUPAC1-(2,6-dimethylpiperidin-1-yl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone
SMILESCCC1CCC(C)N1CC(=O)N1C(C)CCCC1C
InChIInChI=1S/C16H30N2O/c1-5-15-10-9-12(2)17(15)11-16(19)18-13(3)7-6-8-14(18)4/h12-15H,5-11H2,1-4H3
InChIKeyUCZMUBNNVLLJJI-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.04
Rot. Bonds3

About 1-(2,6-dimethylpiperidin-1-yl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone

1-(2,6-dimethylpiperidin-1-yl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone (PubChem CID 75399387) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone
PubChem CID75399387
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone
SMILESCCC1CCC(C)N1CC(=O)N1C(C)CCCC1C
InChIInChI=1S/C16H30N2O/c1-5-15-10-9-12(2)17(15)11-16(19)18-13(3)7-6-8-14(18)4/h12-15H,5-11H2,1-4H3
InChIKeyUCZMUBNNVLLJJI-UHFFFAOYSA-N
XLogP3.04
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone (CID 75399387) is 1-(2,6-dimethylpiperidin-1-yl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone is CCC1CCC(C)N1CC(=O)N1C(C)CCCC1C.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone?
The InChIKey is UCZMUBNNVLLJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-5-15-10-9-12(2)17(15)11-16(19)18-13(3)7-6-8-14(18)4/h12-15H,5-11H2,1-4H3.
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone?
1-(2,6-dimethylpiperidin-1-yl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone has a molecular weight of 266.43 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 75399387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).