1-[[5-(3-fluorophenyl)-2-pyridin-3-yl-1,2,4-triazol-3-yl]methyl]piperidin-2-one

C19H18FN5O — CID 131946826

IUPAC1-[[5-(3-fluorophenyl)-2-pyridin-3-yl-1,2,4-triazol-3-yl]methyl]piperidin-2-one
SMILESO=C1CCCCN1Cc1nc(-c2cccc(F)c2)nn1-c1cccnc1
InChIInChI=1S/C19H18FN5O/c20-15-6-3-5-14(11-15)19-22-17(13-24-10-2-1-8-18(24)26)25(23-19)16-7-4-9-21-12-16/h3-7,9,11-12H,1-2,8,10,13H2
InChIKeyMCHOBFDQFJEBAG-UHFFFAOYSA-N
MW351.38 g/mol
LogP2.98
Rot. Bonds4

About 1-[[5-(3-fluorophenyl)-2-pyridin-3-yl-1,2,4-triazol-3-yl]methyl]piperidin-2-one

1-[[5-(3-fluorophenyl)-2-pyridin-3-yl-1,2,4-triazol-3-yl]methyl]piperidin-2-one (PubChem CID 131946826) has the molecular formula C19H18FN5O and a molecular weight of 351.38 g/mol. Its IUPAC name is 1-[[5-(3-fluorophenyl)-2-pyridin-3-yl-1,2,4-triazol-3-yl]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[[5-(3-fluorophenyl)-2-pyridin-3-yl-1,2,4-triazol-3-yl]methyl]piperidin-2-one
PubChem CID131946826
Molecular FormulaC19H18FN5O
Molecular Weight351.38 g/mol
Exact Mass351.15
IUPAC Name1-[[5-(3-fluorophenyl)-2-pyridin-3-yl-1,2,4-triazol-3-yl]methyl]piperidin-2-one
SMILESO=C1CCCCN1Cc1nc(-c2cccc(F)c2)nn1-c1cccnc1
InChIInChI=1S/C19H18FN5O/c20-15-6-3-5-14(11-15)19-22-17(13-24-10-2-1-8-18(24)26)25(23-19)16-7-4-9-21-12-16/h3-7,9,11-12H,1-2,8,10,13H2
InChIKeyMCHOBFDQFJEBAG-UHFFFAOYSA-N
XLogP2.98
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[[5-(3-fluorophenyl)-2-pyridin-3-yl-1,2,4-triazol-3-yl]methyl]piperidin-2-one with MolForge

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Related Compounds

1-[[5-[2-(difluoromethyl)phenyl]-2-phenyl-1,2,4-triazol-3-yl]methyl]azocan-2-one
CID 167763709
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CID 167784526
1-[(3-fluorophenoxy)methyl]pyrrolidin-2-one
CID 70109836
1-[[2-(3,4-difluorophenyl)-1,2,4-triazol-3-yl]methyl]azepan-2-one
CID 72941389
N-cyclohexyl-N-methyl-2-[[5-[(2-oxoazepan-1-yl)methyl]-4-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 24580352
4-[1-(2-methylphenyl)-5-[(2-oxopyrrolidin-1-yl)methyl]-1,2,4-triazol-3-yl]benzamide
CID 72848168
1-[(4-fluorophenyl)methyl]azepan-2-one
CID 154273809
1-[[5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-4-pyridin-3-yl-1,2,4-triazol-3-yl]methyl]azepan-2-one
CID 17480909
1-(3-fluorophenyl)piperidine-2,6-dione
CID 82077412
5-(3-fluorophenyl)-4-pyridin-4-yl-2-(pyridin-3-ylmethyl)-1,2,4-triazol-3-one
CID 95807081
1-[(2-bromo-3-pyridinyl)methyl]piperidin-2-one
CID 58268580
4-(3-fluorophenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,3,5-triazin-2-amine
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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(3-fluorophenyl)-2-pyridin-3-yl-1,2,4-triazol-3-yl]methyl]piperidin-2-one?
The IUPAC name of 1-[[5-(3-fluorophenyl)-2-pyridin-3-yl-1,2,4-triazol-3-yl]methyl]piperidin-2-one (CID 131946826) is 1-[[5-(3-fluorophenyl)-2-pyridin-3-yl-1,2,4-triazol-3-yl]methyl]piperidin-2-one.
What is the SMILES notation for 1-[[5-(3-fluorophenyl)-2-pyridin-3-yl-1,2,4-triazol-3-yl]methyl]piperidin-2-one?
The canonical SMILES for 1-[[5-(3-fluorophenyl)-2-pyridin-3-yl-1,2,4-triazol-3-yl]methyl]piperidin-2-one is O=C1CCCCN1Cc1nc(-c2cccc(F)c2)nn1-c1cccnc1.
What is the InChIKey of 1-[[5-(3-fluorophenyl)-2-pyridin-3-yl-1,2,4-triazol-3-yl]methyl]piperidin-2-one?
The InChIKey is MCHOBFDQFJEBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O/c20-15-6-3-5-14(11-15)19-22-17(13-24-10-2-1-8-18(24)26)25(23-19)16-7-4-9-21-12-16/h3-7,9,11-12H,1-2,8,10,13H2.
What are the key properties of 1-[[5-(3-fluorophenyl)-2-pyridin-3-yl-1,2,4-triazol-3-yl]methyl]piperidin-2-one?
1-[[5-(3-fluorophenyl)-2-pyridin-3-yl-1,2,4-triazol-3-yl]methyl]piperidin-2-one has a molecular weight of 351.38 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(3-fluorophenyl)-2-pyridin-3-yl-1,2,4-triazol-3-yl]methyl]piperidin-2-one is sourced from PubChem (CID 131946826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).