2-methoxy-5-[3-methyl-5-(4-phenoxypiperidin-1-yl)-1,2,4-triazol-4-yl]pyridine

C20H23N5O2 — CID 46225023

IUPAC2-methoxy-5-[3-methyl-5-(4-phenoxypiperidin-1-yl)-1,2,4-triazol-4-yl]pyridine
SMILESCOc1ccc(-n2c(C)nnc2N2CCC(Oc3ccccc3)CC2)cn1
InChIInChI=1S/C20H23N5O2/c1-15-22-23-20(25(15)16-8-9-19(26-2)21-14-16)24-12-10-18(11-13-24)27-17-6-4-3-5-7-17/h3-9,14,18H,10-13H2,1-2H3
InChIKeyHINKMWDUWUDTBD-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.03
Rot. Bonds5

About 2-methoxy-5-[3-methyl-5-(4-phenoxypiperidin-1-yl)-1,2,4-triazol-4-yl]pyridine

2-methoxy-5-[3-methyl-5-(4-phenoxypiperidin-1-yl)-1,2,4-triazol-4-yl]pyridine (PubChem CID 46225023) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-methoxy-5-[3-methyl-5-(4-phenoxypiperidin-1-yl)-1,2,4-triazol-4-yl]pyridine.

Molecular Properties

Compound Name2-methoxy-5-[3-methyl-5-(4-phenoxypiperidin-1-yl)-1,2,4-triazol-4-yl]pyridine
PubChem CID46225023
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name2-methoxy-5-[3-methyl-5-(4-phenoxypiperidin-1-yl)-1,2,4-triazol-4-yl]pyridine
SMILESCOc1ccc(-n2c(C)nnc2N2CCC(Oc3ccccc3)CC2)cn1
InChIInChI=1S/C20H23N5O2/c1-15-22-23-20(25(15)16-8-9-19(26-2)21-14-16)24-12-10-18(11-13-24)27-17-6-4-3-5-7-17/h3-9,14,18H,10-13H2,1-2H3
InChIKeyHINKMWDUWUDTBD-UHFFFAOYSA-N
XLogP3.03
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 46225048
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CID 71712245
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CID 2982509
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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[3-methyl-5-(4-phenoxypiperidin-1-yl)-1,2,4-triazol-4-yl]pyridine?
The IUPAC name of 2-methoxy-5-[3-methyl-5-(4-phenoxypiperidin-1-yl)-1,2,4-triazol-4-yl]pyridine (CID 46225023) is 2-methoxy-5-[3-methyl-5-(4-phenoxypiperidin-1-yl)-1,2,4-triazol-4-yl]pyridine.
What is the SMILES notation for 2-methoxy-5-[3-methyl-5-(4-phenoxypiperidin-1-yl)-1,2,4-triazol-4-yl]pyridine?
The canonical SMILES for 2-methoxy-5-[3-methyl-5-(4-phenoxypiperidin-1-yl)-1,2,4-triazol-4-yl]pyridine is COc1ccc(-n2c(C)nnc2N2CCC(Oc3ccccc3)CC2)cn1.
What is the InChIKey of 2-methoxy-5-[3-methyl-5-(4-phenoxypiperidin-1-yl)-1,2,4-triazol-4-yl]pyridine?
The InChIKey is HINKMWDUWUDTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-15-22-23-20(25(15)16-8-9-19(26-2)21-14-16)24-12-10-18(11-13-24)27-17-6-4-3-5-7-17/h3-9,14,18H,10-13H2,1-2H3.
What are the key properties of 2-methoxy-5-[3-methyl-5-(4-phenoxypiperidin-1-yl)-1,2,4-triazol-4-yl]pyridine?
2-methoxy-5-[3-methyl-5-(4-phenoxypiperidin-1-yl)-1,2,4-triazol-4-yl]pyridine has a molecular weight of 365.44 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[3-methyl-5-(4-phenoxypiperidin-1-yl)-1,2,4-triazol-4-yl]pyridine is sourced from PubChem (CID 46225023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).