2-methoxy-5-[3-(methoxymethyl)-5-[4-(2-methylphenoxy)piperidin-1-yl]-1,2,4-triazol-4-yl]pyridine

C22H27N5O3 — CID 11502419

IUPAC2-methoxy-5-[3-(methoxymethyl)-5-[4-(2-methylphenoxy)piperidin-1-yl]-1,2,4-triazol-4-yl]pyridine
SMILESCOCc1nnc(N2CCC(Oc3ccccc3C)CC2)n1-c1ccc(OC)nc1
InChIInChI=1S/C22H27N5O3/c1-16-6-4-5-7-19(16)30-18-10-12-26(13-11-18)22-25-24-20(15-28-2)27(22)17-8-9-21(29-3)23-14-17/h4-9,14,18H,10-13,15H2,1-3H3
InChIKeyHXIRLHUUEPTFOL-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.17
Rot. Bonds7

About 2-methoxy-5-[3-(methoxymethyl)-5-[4-(2-methylphenoxy)piperidin-1-yl]-1,2,4-triazol-4-yl]pyridine

2-methoxy-5-[3-(methoxymethyl)-5-[4-(2-methylphenoxy)piperidin-1-yl]-1,2,4-triazol-4-yl]pyridine (PubChem CID 11502419) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-methoxy-5-[3-(methoxymethyl)-5-[4-(2-methylphenoxy)piperidin-1-yl]-1,2,4-triazol-4-yl]pyridine.

Molecular Properties

Compound Name2-methoxy-5-[3-(methoxymethyl)-5-[4-(2-methylphenoxy)piperidin-1-yl]-1,2,4-triazol-4-yl]pyridine
PubChem CID11502419
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC Name2-methoxy-5-[3-(methoxymethyl)-5-[4-(2-methylphenoxy)piperidin-1-yl]-1,2,4-triazol-4-yl]pyridine
SMILESCOCc1nnc(N2CCC(Oc3ccccc3C)CC2)n1-c1ccc(OC)nc1
InChIInChI=1S/C22H27N5O3/c1-16-6-4-5-7-19(16)30-18-10-12-26(13-11-18)22-25-24-20(15-28-2)27(22)17-8-9-21(29-3)23-14-17/h4-9,14,18H,10-13,15H2,1-3H3
InChIKeyHXIRLHUUEPTFOL-UHFFFAOYSA-N
XLogP3.17
TPSA74.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[3-(methoxymethyl)-5-[4-(2-methylphenoxy)piperidin-1-yl]-1,2,4-triazol-4-yl]pyridine?
The IUPAC name of 2-methoxy-5-[3-(methoxymethyl)-5-[4-(2-methylphenoxy)piperidin-1-yl]-1,2,4-triazol-4-yl]pyridine (CID 11502419) is 2-methoxy-5-[3-(methoxymethyl)-5-[4-(2-methylphenoxy)piperidin-1-yl]-1,2,4-triazol-4-yl]pyridine.
What is the SMILES notation for 2-methoxy-5-[3-(methoxymethyl)-5-[4-(2-methylphenoxy)piperidin-1-yl]-1,2,4-triazol-4-yl]pyridine?
The canonical SMILES for 2-methoxy-5-[3-(methoxymethyl)-5-[4-(2-methylphenoxy)piperidin-1-yl]-1,2,4-triazol-4-yl]pyridine is COCc1nnc(N2CCC(Oc3ccccc3C)CC2)n1-c1ccc(OC)nc1.
What is the InChIKey of 2-methoxy-5-[3-(methoxymethyl)-5-[4-(2-methylphenoxy)piperidin-1-yl]-1,2,4-triazol-4-yl]pyridine?
The InChIKey is HXIRLHUUEPTFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-16-6-4-5-7-19(16)30-18-10-12-26(13-11-18)22-25-24-20(15-28-2)27(22)17-8-9-21(29-3)23-14-17/h4-9,14,18H,10-13,15H2,1-3H3.
What are the key properties of 2-methoxy-5-[3-(methoxymethyl)-5-[4-(2-methylphenoxy)piperidin-1-yl]-1,2,4-triazol-4-yl]pyridine?
2-methoxy-5-[3-(methoxymethyl)-5-[4-(2-methylphenoxy)piperidin-1-yl]-1,2,4-triazol-4-yl]pyridine has a molecular weight of 409.49 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[3-(methoxymethyl)-5-[4-(2-methylphenoxy)piperidin-1-yl]-1,2,4-triazol-4-yl]pyridine is sourced from PubChem (CID 11502419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).