2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone

C21H37N3O — CID 119867587

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone

2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 119867587) has the molecular formula C21H37N3O and a molecular weight of 347.55 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone
• PubChem CID: 119867587
• Molecular Formula: C21H37N3O
• Molecular Weight: 347.55 g/mol
• Exact Mass: 347.29
• IUPAC Name: 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone
• SMILES: CC1CCN(CC2CCCN(C(=O)CC3CC4CCC(C3)N4)C2)CC1
• InChI: InChI=1S/C21H37N3O/c1-16-6-9-23(10-7-16)14-17-3-2-8-24(15-17)21(25)13-18-11-19-4-5-20(12-18)22-19/h16-20,22H,2-15H2,1H3
• InChIKey: KXQWRNQRRJOAKQ-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 35.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.55
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone?

The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone (CID 119867587) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone.

What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone?

The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone is CC1CCN(CC2CCCN(C(=O)CC3CC4CCC(C3)N4)C2)CC1.

What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone?

The InChIKey is KXQWRNQRRJOAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3O/c1-16-6-9-23(10-7-16)14-17-3-2-8-24(15-17)21(25)13-18-11-19-4-5-20(12-18)22-19/h16-20,22H,2-15H2,1H3.

What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone?

2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 347.55 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 119867587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).