1-(4-methoxyphenyl)sulfonyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidine-4-carboxamide

C21H22F3N5O4S — CID 16575411

IUPAC1-(4-methoxyphenyl)sulfonyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3nnc4ccc(C(F)(F)F)cn34)CC2)cc1
InChIInChI=1S/C21H22F3N5O4S/c1-33-16-3-5-17(6-4-16)34(31,32)28-10-8-14(9-11-28)20(30)25-12-19-27-26-18-7-2-15(13-29(18)19)21(22,23)24/h2-7,13-14H,8-12H2,1H3,(H,25,30)
InChIKeyUNZMYHGIBPTFBD-UHFFFAOYSA-N
MW497.50 g/mol
LogP2.47
Rot. Bonds6

About 1-(4-methoxyphenyl)sulfonyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidine-4-carboxamide

1-(4-methoxyphenyl)sulfonyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidine-4-carboxamide (PubChem CID 16575411) has the molecular formula C21H22F3N5O4S and a molecular weight of 497.50 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidine-4-carboxamide
PubChem CID16575411
Molecular FormulaC21H22F3N5O4S
Molecular Weight497.50 g/mol
Exact Mass497.13
IUPAC Name1-(4-methoxyphenyl)sulfonyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3nnc4ccc(C(F)(F)F)cn34)CC2)cc1
InChIInChI=1S/C21H22F3N5O4S/c1-33-16-3-5-17(6-4-16)34(31,32)28-10-8-14(9-11-28)20(30)25-12-19-27-26-18-7-2-15(13-29(18)19)21(22,23)24/h2-7,13-14H,8-12H2,1H3,(H,25,30)
InChIKeyUNZMYHGIBPTFBD-UHFFFAOYSA-N
XLogP2.47
TPSA105.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.50
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(4-methoxyphenyl)sulfonyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidine-4-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-(2,2-dimethylpropyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 100799217
N-(2-amino-2-ethylbutyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 119639873
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 3230694
1-(4-fluorophenyl)sulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 27052613
N-butyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 2188546
1-(4-chlorophenyl)sulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 25402530
1-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-[3-(trifluoromethyl)phenyl]urea
CID 17378154
N-[3-(4-methoxyphenyl)propyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 100656350
1-(4-methoxyphenyl)sulfonyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 55780518
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 45371494
1-cyclopropyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine
CID 43655456
(3S)-1-(4-methoxyphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861827

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidine-4-carboxamide (CID 16575411) is 1-(4-methoxyphenyl)sulfonyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidine-4-carboxamide is COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3nnc4ccc(C(F)(F)F)cn34)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidine-4-carboxamide?
The InChIKey is UNZMYHGIBPTFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N5O4S/c1-33-16-3-5-17(6-4-16)34(31,32)28-10-8-14(9-11-28)20(30)25-12-19-27-26-18-7-2-15(13-29(18)19)21(22,23)24/h2-7,13-14H,8-12H2,1H3,(H,25,30).
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidine-4-carboxamide?
1-(4-methoxyphenyl)sulfonyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidine-4-carboxamide has a molecular weight of 497.50 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 16575411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).