2-piperidin-1-yl-3-(1,2,4-triazol-1-yl)propanoyl fluoride

C10H15FN4O — CID 146508295

IUPAC2-piperidin-1-yl-3-(1,2,4-triazol-1-yl)propanoyl fluoride
SMILESO=C(F)C(Cn1cncn1)N1CCCCC1
InChIInChI=1S/C10H15FN4O/c11-10(16)9(6-15-8-12-7-13-15)14-4-2-1-3-5-14/h7-9H,1-6H2
InChIKeyIKPDUKXCWIBXRC-UHFFFAOYSA-N
MW226.25 g/mol
LogP0.63
Rot. Bonds4

About 2-piperidin-1-yl-3-(1,2,4-triazol-1-yl)propanoyl fluoride

2-piperidin-1-yl-3-(1,2,4-triazol-1-yl)propanoyl fluoride (PubChem CID 146508295) has the molecular formula C10H15FN4O and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-piperidin-1-yl-3-(1,2,4-triazol-1-yl)propanoyl fluoride.

Molecular Properties

Compound Name2-piperidin-1-yl-3-(1,2,4-triazol-1-yl)propanoyl fluoride
PubChem CID146508295
Molecular FormulaC10H15FN4O
Molecular Weight226.25 g/mol
Exact Mass226.12
IUPAC Name2-piperidin-1-yl-3-(1,2,4-triazol-1-yl)propanoyl fluoride
SMILESO=C(F)C(Cn1cncn1)N1CCCCC1
InChIInChI=1S/C10H15FN4O/c11-10(16)9(6-15-8-12-7-13-15)14-4-2-1-3-5-14/h7-9H,1-6H2
InChIKeyIKPDUKXCWIBXRC-UHFFFAOYSA-N
XLogP0.63
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Propan-2-ylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 53500648
1-(2,4-Dimethylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 71877432
2-(1,2,4-Triazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 45809901
(2S)-2-(1,2,4-triazol-1-yl)-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 94020952
(2R)-2-(1,2,4-triazol-1-yl)-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 94020954
(2S)-2-(1,2,4-triazol-1-yl)-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 94020956
(2R)-2-(1,2,4-triazol-1-yl)-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 94020957
1-(4,4-difluoropiperidin-1-yl)-2-(1H-1,2,4-triazol-1-yl)ethanone
CID 121184588
4-fluoro-1-(4H-1,2,4-triazol-4-ylacetyl)piperidine
CID 145938864
1-Piperidin-1-yl-2-(1,2,4-triazol-1-yl)ethanone
CID 13036593
2-(Dimethylamino)-1-(1,2,4-triazol-1-yl)pentan-3-one
CID 89397588
3-(Dimethylamino)-4-(1,2,4-triazol-1-yl)butan-2-one
CID 117904649

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-3-(1,2,4-triazol-1-yl)propanoyl fluoride?
The IUPAC name of 2-piperidin-1-yl-3-(1,2,4-triazol-1-yl)propanoyl fluoride (CID 146508295) is 2-piperidin-1-yl-3-(1,2,4-triazol-1-yl)propanoyl fluoride.
What is the SMILES notation for 2-piperidin-1-yl-3-(1,2,4-triazol-1-yl)propanoyl fluoride?
The canonical SMILES for 2-piperidin-1-yl-3-(1,2,4-triazol-1-yl)propanoyl fluoride is O=C(F)C(Cn1cncn1)N1CCCCC1.
What is the InChIKey of 2-piperidin-1-yl-3-(1,2,4-triazol-1-yl)propanoyl fluoride?
The InChIKey is IKPDUKXCWIBXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4O/c11-10(16)9(6-15-8-12-7-13-15)14-4-2-1-3-5-14/h7-9H,1-6H2.
What are the key properties of 2-piperidin-1-yl-3-(1,2,4-triazol-1-yl)propanoyl fluoride?
2-piperidin-1-yl-3-(1,2,4-triazol-1-yl)propanoyl fluoride has a molecular weight of 226.25 g/mol, XLogP of 0.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-3-(1,2,4-triazol-1-yl)propanoyl fluoride is sourced from PubChem (CID 146508295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).