3-[2-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]piperidin-2-one

C14H15FN4O — CID 131897761

IUPAC3-[2-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]piperidin-2-one
SMILESO=C1NCCCC1c1ncnn1Cc1ccc(F)cc1
InChIInChI=1S/C14H15FN4O/c15-11-5-3-10(4-6-11)8-19-13(17-9-18-19)12-2-1-7-16-14(12)20/h3-6,9,12H,1-2,7-8H2,(H,16,20)
InChIKeyHJKUWMVXJQZGQN-UHFFFAOYSA-N
MW274.30 g/mol
LogP1.46
Rot. Bonds3

About 3-[2-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]piperidin-2-one

3-[2-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]piperidin-2-one (PubChem CID 131897761) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is 3-[2-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]piperidin-2-one.

Molecular Properties

Compound Name3-[2-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]piperidin-2-one
PubChem CID131897761
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC Name3-[2-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]piperidin-2-one
SMILESO=C1NCCCC1c1ncnn1Cc1ccc(F)cc1
InChIInChI=1S/C14H15FN4O/c15-11-5-3-10(4-6-11)8-19-13(17-9-18-19)12-2-1-7-16-14(12)20/h3-6,9,12H,1-2,7-8H2,(H,16,20)
InChIKeyHJKUWMVXJQZGQN-UHFFFAOYSA-N
XLogP1.46
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]piperidin-2-one?
The IUPAC name of 3-[2-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]piperidin-2-one (CID 131897761) is 3-[2-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]piperidin-2-one.
What is the SMILES notation for 3-[2-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]piperidin-2-one?
The canonical SMILES for 3-[2-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]piperidin-2-one is O=C1NCCCC1c1ncnn1Cc1ccc(F)cc1.
What is the InChIKey of 3-[2-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]piperidin-2-one?
The InChIKey is HJKUWMVXJQZGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O/c15-11-5-3-10(4-6-11)8-19-13(17-9-18-19)12-2-1-7-16-14(12)20/h3-6,9,12H,1-2,7-8H2,(H,16,20).
What are the key properties of 3-[2-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]piperidin-2-one?
3-[2-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]piperidin-2-one has a molecular weight of 274.30 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]piperidin-2-one is sourced from PubChem (CID 131897761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).