1-(2-fluorophenyl)-N-(2-piperidin-3-ylethyl)-5-propan-2-yl-1,2,4-triazole-3-carboxamide

C19H26FN5O — CID 119557786

IUPAC1-(2-fluorophenyl)-N-(2-piperidin-3-ylethyl)-5-propan-2-yl-1,2,4-triazole-3-carboxamide
SMILESCC(C)c1nc(C(=O)NCCC2CCCNC2)nn1-c1ccccc1F
InChIInChI=1S/C19H26FN5O/c1-13(2)18-23-17(24-25(18)16-8-4-3-7-15(16)20)19(26)22-11-9-14-6-5-10-21-12-14/h3-4,7-8,13-14,21H,5-6,9-12H2,1-2H3,(H,22,26)
InChIKeyUDVGMSTVJNGVAJ-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.65
Rot. Bonds6

About 1-(2-fluorophenyl)-N-(2-piperidin-3-ylethyl)-5-propan-2-yl-1,2,4-triazole-3-carboxamide

1-(2-fluorophenyl)-N-(2-piperidin-3-ylethyl)-5-propan-2-yl-1,2,4-triazole-3-carboxamide (PubChem CID 119557786) has the molecular formula C19H26FN5O and a molecular weight of 359.45 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(2-piperidin-3-ylethyl)-5-propan-2-yl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(2-piperidin-3-ylethyl)-5-propan-2-yl-1,2,4-triazole-3-carboxamide
PubChem CID119557786
Molecular FormulaC19H26FN5O
Molecular Weight359.45 g/mol
Exact Mass359.21
IUPAC Name1-(2-fluorophenyl)-N-(2-piperidin-3-ylethyl)-5-propan-2-yl-1,2,4-triazole-3-carboxamide
SMILESCC(C)c1nc(C(=O)NCCC2CCCNC2)nn1-c1ccccc1F
InChIInChI=1S/C19H26FN5O/c1-13(2)18-23-17(24-25(18)16-8-4-3-7-15(16)20)19(26)22-11-9-14-6-5-10-21-12-14/h3-4,7-8,13-14,21H,5-6,9-12H2,1-2H3,(H,22,26)
InChIKeyUDVGMSTVJNGVAJ-UHFFFAOYSA-N
XLogP2.65
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluorophenyl)-N-(3-methylpiperidin-4-yl)-5-propan-2-yl-1,2,4-triazole-3-carboxamide;hydrochloride
CID 120556336
1-(2-chlorophenyl)-5-cyclopropyl-N-(2-piperidin-3-ylethyl)-1,2,4-triazole-3-carboxamide;hydrochloride
CID 119559444
6-[[1-(2-fluorophenyl)-5-propan-2-yl-1,2,4-triazole-3-carbonyl]amino]hexanoic acid
CID 119352122
1-(2-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-5-propan-2-yl-1,2,4-triazole-3-carboxamide
CID 110000868
N-(1-amino-4-methylpentan-2-yl)-1-(2-fluorophenyl)-5-propan-2-yl-1,2,4-triazole-3-carboxamide;hydrochloride
CID 119587509
1,4-diazepan-1-yl-[1-(2-fluorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanone
CID 119416977
2,6-difluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554934
1-(2-fluorophenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-propan-2-yl-1,2,4-triazole-3-carboxamide
CID 120882636
1-(2-fluorophenyl)-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-5-propan-2-yl-1,2,4-triazole-3-carboxamide
CID 126774336
5-fluoro-2-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 55144401
1-(3-fluorophenyl)-N-(2-piperidin-3-ylethyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide;hydrochloride
CID 119557320
[1-(2-fluorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119545347

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(2-piperidin-3-ylethyl)-5-propan-2-yl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-(2-piperidin-3-ylethyl)-5-propan-2-yl-1,2,4-triazole-3-carboxamide (CID 119557786) is 1-(2-fluorophenyl)-N-(2-piperidin-3-ylethyl)-5-propan-2-yl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(2-piperidin-3-ylethyl)-5-propan-2-yl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-(2-piperidin-3-ylethyl)-5-propan-2-yl-1,2,4-triazole-3-carboxamide is CC(C)c1nc(C(=O)NCCC2CCCNC2)nn1-c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-(2-piperidin-3-ylethyl)-5-propan-2-yl-1,2,4-triazole-3-carboxamide?
The InChIKey is UDVGMSTVJNGVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN5O/c1-13(2)18-23-17(24-25(18)16-8-4-3-7-15(16)20)19(26)22-11-9-14-6-5-10-21-12-14/h3-4,7-8,13-14,21H,5-6,9-12H2,1-2H3,(H,22,26).
What are the key properties of 1-(2-fluorophenyl)-N-(2-piperidin-3-ylethyl)-5-propan-2-yl-1,2,4-triazole-3-carboxamide?
1-(2-fluorophenyl)-N-(2-piperidin-3-ylethyl)-5-propan-2-yl-1,2,4-triazole-3-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(2-piperidin-3-ylethyl)-5-propan-2-yl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 119557786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).