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

C21H29F2N3O — CID 119884012

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetamide
SMILESO=C(CC1CC2CCC(C1)N2)NC1CCCN(Cc2c(F)cccc2F)C1
InChIInChI=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)
InChIKeyPSWDJGCIYLTZAP-UHFFFAOYSA-N
MW377.48 g/mol
LogP2.97
Rot. Bonds5

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 Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetamide
PubChem CID119884012
Molecular FormulaC21H29F2N3O
Molecular Weight377.48 g/mol
Exact Mass377.23
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetamide
SMILESO=C(CC1CC2CCC(C1)N2)NC1CCCN(Cc2c(F)cccc2F)C1
InChIInChI=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)
InChIKeyPSWDJGCIYLTZAP-UHFFFAOYSA-N
XLogP2.97
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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).