1-(4-fluorophenyl)-5-methyl-N-(1-methylsulfonylpiperidin-3-yl)-1,2,4-triazole-3-carboxamide

C16H20FN5O3S — CID 47909220

IUPAC1-(4-fluorophenyl)-5-methyl-N-(1-methylsulfonylpiperidin-3-yl)-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)NC2CCCN(S(C)(=O)=O)C2)nn1-c1ccc(F)cc1
InChIInChI=1S/C16H20FN5O3S/c1-11-18-15(20-22(11)14-7-5-12(17)6-8-14)16(23)19-13-4-3-9-21(10-13)26(2,24)25/h5-8,13H,3-4,9-10H2,1-2H3,(H,19,23)
InChIKeyZMFBKLAQKIIILV-UHFFFAOYSA-N
MW381.43 g/mol
LogP0.87
Rot. Bonds4

About 1-(4-fluorophenyl)-5-methyl-N-(1-methylsulfonylpiperidin-3-yl)-1,2,4-triazole-3-carboxamide

1-(4-fluorophenyl)-5-methyl-N-(1-methylsulfonylpiperidin-3-yl)-1,2,4-triazole-3-carboxamide (PubChem CID 47909220) has the molecular formula C16H20FN5O3S and a molecular weight of 381.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-methyl-N-(1-methylsulfonylpiperidin-3-yl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-methyl-N-(1-methylsulfonylpiperidin-3-yl)-1,2,4-triazole-3-carboxamide
PubChem CID47909220
Molecular FormulaC16H20FN5O3S
Molecular Weight381.43 g/mol
Exact Mass381.13
IUPAC Name1-(4-fluorophenyl)-5-methyl-N-(1-methylsulfonylpiperidin-3-yl)-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)NC2CCCN(S(C)(=O)=O)C2)nn1-c1ccc(F)cc1
InChIInChI=1S/C16H20FN5O3S/c1-11-18-15(20-22(11)14-7-5-12(17)6-8-14)16(23)19-13-4-3-9-21(10-13)26(2,24)25/h5-8,13H,3-4,9-10H2,1-2H3,(H,19,23)
InChIKeyZMFBKLAQKIIILV-UHFFFAOYSA-N
XLogP0.87
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(4-fluorophenyl)-5-methyl-N-(1-methylsulfonylpiperidin-3-yl)-1,2,4-triazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-methylsulfonylpiperidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 146124574
[1-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 92518956
4-methyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide
CID 47910179
4-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]benzoic acid
CID 119182615
[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[1-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanone
CID 9490031
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 55735231
5-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]thiophene-2-carboxylic acid
CID 119182612
[1-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]-pyrrolidin-1-ylmethanone
CID 51246088
2,3-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide
CID 47910133
5-bromo-2-fluoro-N-(1-methylsulfonylpiperidin-3-yl)benzamide
CID 47909698
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 98445975
N-[1-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]piperidin-3-yl]acetamide
CID 78892030

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-(1-methylsulfonylpiperidin-3-yl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-(1-methylsulfonylpiperidin-3-yl)-1,2,4-triazole-3-carboxamide (CID 47909220) is 1-(4-fluorophenyl)-5-methyl-N-(1-methylsulfonylpiperidin-3-yl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-5-methyl-N-(1-methylsulfonylpiperidin-3-yl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-5-methyl-N-(1-methylsulfonylpiperidin-3-yl)-1,2,4-triazole-3-carboxamide is Cc1nc(C(=O)NC2CCCN(S(C)(=O)=O)C2)nn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-methyl-N-(1-methylsulfonylpiperidin-3-yl)-1,2,4-triazole-3-carboxamide?
The InChIKey is ZMFBKLAQKIIILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O3S/c1-11-18-15(20-22(11)14-7-5-12(17)6-8-14)16(23)19-13-4-3-9-21(10-13)26(2,24)25/h5-8,13H,3-4,9-10H2,1-2H3,(H,19,23).
What are the key properties of 1-(4-fluorophenyl)-5-methyl-N-(1-methylsulfonylpiperidin-3-yl)-1,2,4-triazole-3-carboxamide?
1-(4-fluorophenyl)-5-methyl-N-(1-methylsulfonylpiperidin-3-yl)-1,2,4-triazole-3-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-methyl-N-(1-methylsulfonylpiperidin-3-yl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 47909220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).