(3R)-N-[4-methoxy-3-(trifluoromethyl)phenyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide

C20H20F3N5O2 — CID 95114600

IUPAC(3R)-N-[4-methoxy-3-(trifluoromethyl)phenyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CCCN(c3nnc4ccccn34)C2)cc1C(F)(F)F
InChIInChI=1S/C20H20F3N5O2/c1-30-16-8-7-14(11-15(16)20(21,22)23)24-18(29)13-5-4-9-27(12-13)19-26-25-17-6-2-3-10-28(17)19/h2-3,6-8,10-11,13H,4-5,9,12H2,1H3,(H,24,29)/t13-/m1/s1
InChIKeyYUGRTUQVBIAQMC-CYBMUJFWSA-N
MW419.41 g/mol
LogP3.61
Rot. Bonds4

About (3R)-N-[4-methoxy-3-(trifluoromethyl)phenyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide

(3R)-N-[4-methoxy-3-(trifluoromethyl)phenyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide (PubChem CID 95114600) has the molecular formula C20H20F3N5O2 and a molecular weight of 419.41 g/mol. Its IUPAC name is (3R)-N-[4-methoxy-3-(trifluoromethyl)phenyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[4-methoxy-3-(trifluoromethyl)phenyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
PubChem CID95114600
Molecular FormulaC20H20F3N5O2
Molecular Weight419.41 g/mol
Exact Mass419.16
IUPAC Name(3R)-N-[4-methoxy-3-(trifluoromethyl)phenyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CCCN(c3nnc4ccccn34)C2)cc1C(F)(F)F
InChIInChI=1S/C20H20F3N5O2/c1-30-16-8-7-14(11-15(16)20(21,22)23)24-18(29)13-5-4-9-27(12-13)19-26-25-17-6-2-3-10-28(17)19/h2-3,6-8,10-11,13H,4-5,9,12H2,1H3,(H,24,29)/t13-/m1/s1
InChIKeyYUGRTUQVBIAQMC-CYBMUJFWSA-N
XLogP3.61
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-(2,4-dimethoxyphenyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
CID 95114780
(3S)-N-(2,3-dihydro-1H-inden-5-yl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
CID 95114546
N-(3-ethylphenyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
CID 53203140
1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 53203178
N-(3-fluoro-4-methoxyphenyl)-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
CID 53203269
1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 53203046
N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 46485215
(3S)-N-(3-chloro-4-methoxyphenyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-3-carboxamide
CID 39313401
(3R)-N-[(2-methoxyphenyl)methyl]-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide
CID 95115170
(3R)-1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 95114666
(3S)-N-[(2-fluorophenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
CID 95114585
(3S)-N-[(3-methylphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
CID 95114823

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[4-methoxy-3-(trifluoromethyl)phenyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[4-methoxy-3-(trifluoromethyl)phenyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide (CID 95114600) is (3R)-N-[4-methoxy-3-(trifluoromethyl)phenyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[4-methoxy-3-(trifluoromethyl)phenyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[4-methoxy-3-(trifluoromethyl)phenyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide is COc1ccc(NC(=O)[C@@H]2CCCN(c3nnc4ccccn34)C2)cc1C(F)(F)F.
What is the InChIKey of (3R)-N-[4-methoxy-3-(trifluoromethyl)phenyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide?
The InChIKey is YUGRTUQVBIAQMC-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H20F3N5O2/c1-30-16-8-7-14(11-15(16)20(21,22)23)24-18(29)13-5-4-9-27(12-13)19-26-25-17-6-2-3-10-28(17)19/h2-3,6-8,10-11,13H,4-5,9,12H2,1H3,(H,24,29)/t13-/m1/s1.
What are the key properties of (3R)-N-[4-methoxy-3-(trifluoromethyl)phenyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide?
(3R)-N-[4-methoxy-3-(trifluoromethyl)phenyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide has a molecular weight of 419.41 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[4-methoxy-3-(trifluoromethyl)phenyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 95114600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).