1-(3,5-dimethylpiperidin-1-yl)-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethane-1,2-dione

C19H32N2O2 — CID 108520590

IUPAC1-(3,5-dimethylpiperidin-1-yl)-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethane-1,2-dione
SMILESCC1CC(C)CN(C(=O)C(=O)N2CC3(C)CC2CC(C)(C)C3)C1
InChIInChI=1S/C19H32N2O2/c1-13-6-14(2)10-20(9-13)16(22)17(23)21-12-19(5)8-15(21)7-18(3,4)11-19/h13-15H,6-12H2,1-5H3
InChIKeyXDAZJZBFHZRJTO-UHFFFAOYSA-N
MW320.48 g/mol
LogP2.92
Rot. Bonds

About 1-(3,5-dimethylpiperidin-1-yl)-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethane-1,2-dione

1-(3,5-dimethylpiperidin-1-yl)-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethane-1,2-dione (PubChem CID 108520590) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethane-1,2-dione
PubChem CID108520590
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethane-1,2-dione
SMILESCC1CC(C)CN(C(=O)C(=O)N2CC3(C)CC2CC(C)(C)C3)C1
InChIInChI=1S/C19H32N2O2/c1-13-6-14(2)10-20(9-13)16(22)17(23)21-12-19(5)8-15(21)7-18(3,4)11-19/h13-15H,6-12H2,1-5H3
InChIKeyXDAZJZBFHZRJTO-UHFFFAOYSA-N
XLogP2.92
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethane-1,2-dione?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethane-1,2-dione (CID 108520590) is 1-(3,5-dimethylpiperidin-1-yl)-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethane-1,2-dione.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethane-1,2-dione?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethane-1,2-dione is CC1CC(C)CN(C(=O)C(=O)N2CC3(C)CC2CC(C)(C)C3)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethane-1,2-dione?
The InChIKey is XDAZJZBFHZRJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-13-6-14(2)10-20(9-13)16(22)17(23)21-12-19(5)8-15(21)7-18(3,4)11-19/h13-15H,6-12H2,1-5H3.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethane-1,2-dione?
1-(3,5-dimethylpiperidin-1-yl)-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethane-1,2-dione has a molecular weight of 320.48 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethane-1,2-dione is sourced from PubChem (CID 108520590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).