N-(3-fluoropropyl)-3-azabicyclo[3.3.1]nonane-7-carboxamide

C12H21FN2O — CID 59403331

IUPACN-(3-fluoropropyl)-3-azabicyclo[3.3.1]nonane-7-carboxamide
SMILESO=C(NCCCF)C1CC2CNCC(C2)C1
InChIInChI=1S/C12H21FN2O/c13-2-1-3-15-12(16)11-5-9-4-10(6-11)8-14-7-9/h9-11,14H,1-8H2,(H,15,16)
InChIKeyZQTUIBKIMXCHQW-UHFFFAOYSA-N
MW228.31 g/mol
LogP1.10
Rot. Bonds4

About N-(3-fluoropropyl)-3-azabicyclo[3.3.1]nonane-7-carboxamide

N-(3-fluoropropyl)-3-azabicyclo[3.3.1]nonane-7-carboxamide (PubChem CID 59403331) has the molecular formula C12H21FN2O and a molecular weight of 228.31 g/mol. Its IUPAC name is N-(3-fluoropropyl)-3-azabicyclo[3.3.1]nonane-7-carboxamide.

Molecular Properties

Compound NameN-(3-fluoropropyl)-3-azabicyclo[3.3.1]nonane-7-carboxamide
PubChem CID59403331
Molecular FormulaC12H21FN2O
Molecular Weight228.31 g/mol
Exact Mass228.16
IUPAC NameN-(3-fluoropropyl)-3-azabicyclo[3.3.1]nonane-7-carboxamide
SMILESO=C(NCCCF)C1CC2CNCC(C2)C1
InChIInChI=1S/C12H21FN2O/c13-2-1-3-15-12(16)11-5-9-4-10(6-11)8-14-7-9/h9-11,14H,1-8H2,(H,15,16)
InChIKeyZQTUIBKIMXCHQW-UHFFFAOYSA-N
XLogP1.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropropyl)-3-azabicyclo[3.3.1]nonane-7-carboxamide?
The IUPAC name of N-(3-fluoropropyl)-3-azabicyclo[3.3.1]nonane-7-carboxamide (CID 59403331) is N-(3-fluoropropyl)-3-azabicyclo[3.3.1]nonane-7-carboxamide.
What is the SMILES notation for N-(3-fluoropropyl)-3-azabicyclo[3.3.1]nonane-7-carboxamide?
The canonical SMILES for N-(3-fluoropropyl)-3-azabicyclo[3.3.1]nonane-7-carboxamide is O=C(NCCCF)C1CC2CNCC(C2)C1.
What is the InChIKey of N-(3-fluoropropyl)-3-azabicyclo[3.3.1]nonane-7-carboxamide?
The InChIKey is ZQTUIBKIMXCHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FN2O/c13-2-1-3-15-12(16)11-5-9-4-10(6-11)8-14-7-9/h9-11,14H,1-8H2,(H,15,16).
What are the key properties of N-(3-fluoropropyl)-3-azabicyclo[3.3.1]nonane-7-carboxamide?
N-(3-fluoropropyl)-3-azabicyclo[3.3.1]nonane-7-carboxamide has a molecular weight of 228.31 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)-3-azabicyclo[3.3.1]nonane-7-carboxamide is sourced from PubChem (CID 59403331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).