1-[(4,4-difluoropiperidin-1-yl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide

C12H19F2N3O — CID 162459704

IUPAC1-[(4,4-difluoropiperidin-1-yl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESNC(=O)C1CC2CC2(CN2CCC(F)(F)CC2)N1
InChIInChI=1S/C12H19F2N3O/c13-12(14)1-3-17(4-2-12)7-11-6-8(11)5-9(16-11)10(15)18/h8-9,16H,1-7H2,(H2,15,18)
InChIKeyPNLCAUGBBYYQMZ-UHFFFAOYSA-N
MW259.30 g/mol
LogP0.32
Rot. Bonds3

About 1-[(4,4-difluoropiperidin-1-yl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide

1-[(4,4-difluoropiperidin-1-yl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 162459704) has the molecular formula C12H19F2N3O and a molecular weight of 259.30 g/mol. Its IUPAC name is 1-[(4,4-difluoropiperidin-1-yl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name1-[(4,4-difluoropiperidin-1-yl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID162459704
Molecular FormulaC12H19F2N3O
Molecular Weight259.30 g/mol
Exact Mass259.15
IUPAC Name1-[(4,4-difluoropiperidin-1-yl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESNC(=O)C1CC2CC2(CN2CCC(F)(F)CC2)N1
InChIInChI=1S/C12H19F2N3O/c13-12(14)1-3-17(4-2-12)7-11-6-8(11)5-9(16-11)10(15)18/h8-9,16H,1-7H2,(H2,15,18)
InChIKeyPNLCAUGBBYYQMZ-UHFFFAOYSA-N
XLogP0.32
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,4-difluoropiperidin-1-yl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of 1-[(4,4-difluoropiperidin-1-yl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 162459704) is 1-[(4,4-difluoropiperidin-1-yl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for 1-[(4,4-difluoropiperidin-1-yl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for 1-[(4,4-difluoropiperidin-1-yl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide is NC(=O)C1CC2CC2(CN2CCC(F)(F)CC2)N1.
What is the InChIKey of 1-[(4,4-difluoropiperidin-1-yl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is PNLCAUGBBYYQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3O/c13-12(14)1-3-17(4-2-12)7-11-6-8(11)5-9(16-11)10(15)18/h8-9,16H,1-7H2,(H2,15,18).
What are the key properties of 1-[(4,4-difluoropiperidin-1-yl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
1-[(4,4-difluoropiperidin-1-yl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 259.30 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,4-difluoropiperidin-1-yl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 162459704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).