methyl 1-[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-2H-pyridine-3-carboxylate

C21H23N5O4 — CID 140697799

IUPACmethyl 1-[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-2H-pyridine-3-carboxylate
SMILESCOC(=O)C1=CC=CN(OC2CCCN(C(=O)c3ccccc3-n3nccn3)C2)C1
InChIInChI=1S/C21H23N5O4/c1-29-21(28)16-6-4-13-25(14-16)30-17-7-5-12-24(15-17)20(27)18-8-2-3-9-19(18)26-22-10-11-23-26/h2-4,6,8-11,13,17H,5,7,12,14-15H2,1H3
InChIKeyRJBXOKHUFPHKGN-UHFFFAOYSA-N
MW409.45 g/mol
LogP1.73
Rot. Bonds5

About methyl 1-[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-2H-pyridine-3-carboxylate

methyl 1-[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-2H-pyridine-3-carboxylate (PubChem CID 140697799) has the molecular formula C21H23N5O4 and a molecular weight of 409.45 g/mol. Its IUPAC name is methyl 1-[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-2H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-2H-pyridine-3-carboxylate
PubChem CID140697799
Molecular FormulaC21H23N5O4
Molecular Weight409.45 g/mol
Exact Mass409.18
IUPAC Namemethyl 1-[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-2H-pyridine-3-carboxylate
SMILESCOC(=O)C1=CC=CN(OC2CCCN(C(=O)c3ccccc3-n3nccn3)C2)C1
InChIInChI=1S/C21H23N5O4/c1-29-21(28)16-6-4-13-25(14-16)30-17-7-5-12-24(15-17)20(27)18-8-2-3-9-19(18)26-22-10-11-23-26/h2-4,6,8-11,13,17H,5,7,12,14-15H2,1H3
InChIKeyRJBXOKHUFPHKGN-UHFFFAOYSA-N
XLogP1.73
TPSA89.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 4-(azetidin-1-yl)-2-[(3R)-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate
CID 144651679
methyl 4-methyl-2-[[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate
CID 144872023
[(3R)-3-quinolin-2-yloxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 134153918
[2-(triazol-2-yl)phenyl]-[(3R)-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone
CID 134503624
S-[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl] ethanethioate
CID 145108146
1-[2-(triazol-2-yl)benzoyl]piperidine-3-carbothioamide
CID 144786935
(3-quinolin-8-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone
CID 143981180
[2-(triazol-2-yl)phenyl]-[(3R)-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone
CID 126746578
(3-pyrazolo[1,5-a]pyrazin-4-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone
CID 145108171
[(3R)-3-[[4-(fluoromethoxy)-2-pyridinyl]oxy]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 144697983
[3-[3-(2-hydroxybutan-2-yl)phenoxy]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 144739473
4-methylsulfanyl-2-[(3R)-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carbonitrile
CID 144651700

Frequently Asked Questions

What is the IUPAC name of methyl 1-[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-2H-pyridine-3-carboxylate?
The IUPAC name of methyl 1-[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-2H-pyridine-3-carboxylate (CID 140697799) is methyl 1-[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-2H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 1-[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-2H-pyridine-3-carboxylate?
The canonical SMILES for methyl 1-[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-2H-pyridine-3-carboxylate is COC(=O)C1=CC=CN(OC2CCCN(C(=O)c3ccccc3-n3nccn3)C2)C1.
What is the InChIKey of methyl 1-[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-2H-pyridine-3-carboxylate?
The InChIKey is RJBXOKHUFPHKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4/c1-29-21(28)16-6-4-13-25(14-16)30-17-7-5-12-24(15-17)20(27)18-8-2-3-9-19(18)26-22-10-11-23-26/h2-4,6,8-11,13,17H,5,7,12,14-15H2,1H3.
What are the key properties of methyl 1-[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-2H-pyridine-3-carboxylate?
methyl 1-[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-2H-pyridine-3-carboxylate has a molecular weight of 409.45 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-2H-pyridine-3-carboxylate is sourced from PubChem (CID 140697799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).