2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]acetamide;dihydrochloride

C22H36Cl2N4O — CID 119868601

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]acetamide;dihydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]acetamide;dihydrochloride (PubChem CID 119868601) has the molecular formula C22H36Cl2N4O and a molecular weight of 443.46 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]acetamide;dihydrochloride.

Molecular Properties

• Compound Name: 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]acetamide;dihydrochloride
• PubChem CID: 119868601
• Molecular Formula: C22H36Cl2N4O
• Molecular Weight: 443.46 g/mol
• Exact Mass: 442.23
• IUPAC Name: 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]acetamide;dihydrochloride
• SMILES: CN(C(=O)CC1CC2CCC(C1)N2)C1CCN(CCc2ccccn2)CC1.Cl.Cl
• InChI: InChI=1S/C22H34N4O.2ClH/c1-25(22(27)16-17-14-19-5-6-20(15-17)24-19)21-8-12-26(13-9-21)11-7-18-4-2-3-10-23-18;;/h2-4,10,17,19-21,24H,5-9,11-16H2,1H3;2*1H
• InChIKey: VWYFQHHEYYKIBD-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 48.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.46
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]acetamide;dihydrochloride?

The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]acetamide;dihydrochloride (CID 119868601) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]acetamide;dihydrochloride.

What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]acetamide;dihydrochloride?

The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]acetamide;dihydrochloride is CN(C(=O)CC1CC2CCC(C1)N2)C1CCN(CCc2ccccn2)CC1.Cl.Cl.

What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]acetamide;dihydrochloride?

The InChIKey is VWYFQHHEYYKIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O.2ClH/c1-25(22(27)16-17-14-19-5-6-20(15-17)24-19)21-8-12-26(13-9-21)11-7-18-4-2-3-10-23-18;;/h2-4,10,17,19-21,24H,5-9,11-16H2,1H3;2*1H.

What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]acetamide;dihydrochloride?

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]acetamide;dihydrochloride has a molecular weight of 443.46 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]acetamide;dihydrochloride is sourced from PubChem (CID 119868601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).