2-(1-azaspiro[3.5]nonan-1-yl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide

C17H21FN6O — CID 166276211

IUPAC2-(1-azaspiro[3.5]nonan-1-yl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide
SMILESO=C(CN1CCC12CCCCC2)Nc1cc(-n2cnnn2)ccc1F
InChIInChI=1S/C17H21FN6O/c18-14-5-4-13(24-12-19-21-22-24)10-15(14)20-16(25)11-23-9-8-17(23)6-2-1-3-7-17/h4-5,10,12H,1-3,6-9,11H2,(H,20,25)
InChIKeyOKAAYKUECNXJFF-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.15
Rot. Bonds4

About 2-(1-azaspiro[3.5]nonan-1-yl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide

2-(1-azaspiro[3.5]nonan-1-yl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 166276211) has the molecular formula C17H21FN6O and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-(1-azaspiro[3.5]nonan-1-yl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-azaspiro[3.5]nonan-1-yl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide
PubChem CID166276211
Molecular FormulaC17H21FN6O
Molecular Weight344.39 g/mol
Exact Mass344.18
IUPAC Name2-(1-azaspiro[3.5]nonan-1-yl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide
SMILESO=C(CN1CCC12CCCCC2)Nc1cc(-n2cnnn2)ccc1F
InChIInChI=1S/C17H21FN6O/c18-14-5-4-13(24-12-19-21-22-24)10-15(14)20-16(25)11-23-9-8-17(23)6-2-1-3-7-17/h4-5,10,12H,1-3,6-9,11H2,(H,20,25)
InChIKeyOKAAYKUECNXJFF-UHFFFAOYSA-N
XLogP2.15
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-azaspiro[3.5]nonan-1-yl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-(1-azaspiro[3.5]nonan-1-yl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide (CID 166276211) is 2-(1-azaspiro[3.5]nonan-1-yl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(1-azaspiro[3.5]nonan-1-yl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(1-azaspiro[3.5]nonan-1-yl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide is O=C(CN1CCC12CCCCC2)Nc1cc(-n2cnnn2)ccc1F.
What is the InChIKey of 2-(1-azaspiro[3.5]nonan-1-yl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is OKAAYKUECNXJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN6O/c18-14-5-4-13(24-12-19-21-22-24)10-15(14)20-16(25)11-23-9-8-17(23)6-2-1-3-7-17/h4-5,10,12H,1-3,6-9,11H2,(H,20,25).
What are the key properties of 2-(1-azaspiro[3.5]nonan-1-yl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide?
2-(1-azaspiro[3.5]nonan-1-yl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 344.39 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-azaspiro[3.5]nonan-1-yl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 166276211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).