2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetamide

C21H29F2N3O — CID 119884012

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetamide (PubChem CID 119884012) has the molecular formula C21H29F2N3O and a molecular weight of 377.48 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetamide
• PubChem CID: 119884012
• Molecular Formula: C21H29F2N3O
• Molecular Weight: 377.48 g/mol
• Exact Mass: 377.23
• IUPAC Name: 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetamide
• SMILES: O=C(CC1CC2CCC(C1)N2)NC1CCCN(Cc2c(F)cccc2F)C1
• InChI: InChI=1S/C21H29F2N3O/c22-19-4-1-5-20(23)18(19)13-26-8-2-3-17(12-26)25-21(27)11-14-9-15-6-7-16(10-14)24-15/h1,4-5,14-17,24H,2-3,6-13H2,(H,25,27)
• InChIKey: PSWDJGCIYLTZAP-UHFFFAOYSA-N
• XLogP: 2.97
• TPSA: 44.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.48
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetamide?

The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetamide (CID 119884012) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetamide.

What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetamide?

The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetamide is O=C(CC1CC2CCC(C1)N2)NC1CCCN(Cc2c(F)cccc2F)C1.

What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetamide?

The InChIKey is PSWDJGCIYLTZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29F2N3O/c22-19-4-1-5-20(23)18(19)13-26-8-2-3-17(12-26)25-21(27)11-14-9-15-6-7-16(10-14)24-15/h1,4-5,14-17,24H,2-3,6-13H2,(H,25,27).

What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetamide?

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetamide has a molecular weight of 377.48 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 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)-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 119884012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).