6-methoxy-1'-(3-methyl-2-pyridinyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]

C20H24N2O2 — CID 135103863

IUPAC6-methoxy-1'-(3-methyl-2-pyridinyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]
SMILESCOc1ccc2c(c1)CCOC21CCN(c2ncccc2C)CC1
InChIInChI=1S/C20H24N2O2/c1-15-4-3-10-21-19(15)22-11-8-20(9-12-22)18-6-5-17(23-2)14-16(18)7-13-24-20/h3-6,10,14H,7-9,11-13H2,1-2H3
InChIKeyCHPHNZDWMRRQGJ-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.47
Rot. Bonds2

About 6-methoxy-1'-(3-methyl-2-pyridinyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]

6-methoxy-1'-(3-methyl-2-pyridinyl)spiro[3,4-dihydroisochromene-1,4'-piperidine] (PubChem CID 135103863) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 6-methoxy-1'-(3-methyl-2-pyridinyl)spiro[3,4-dihydroisochromene-1,4'-piperidine].

Molecular Properties

Compound Name6-methoxy-1'-(3-methyl-2-pyridinyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]
PubChem CID135103863
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name6-methoxy-1'-(3-methyl-2-pyridinyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]
SMILESCOc1ccc2c(c1)CCOC21CCN(c2ncccc2C)CC1
InChIInChI=1S/C20H24N2O2/c1-15-4-3-10-21-19(15)22-11-8-20(9-12-22)18-6-5-17(23-2)14-16(18)7-13-24-20/h3-6,10,14H,7-9,11-13H2,1-2H3
InChIKeyCHPHNZDWMRRQGJ-UHFFFAOYSA-N
XLogP3.47
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-methoxy-1'-(3-methyl-2-pyridinyl)spiro[3,4-dihydroisochromene-1,4'-piperidine] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1'-(3-methyl-2-pyridinyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]?
The IUPAC name of 6-methoxy-1'-(3-methyl-2-pyridinyl)spiro[3,4-dihydroisochromene-1,4'-piperidine] (CID 135103863) is 6-methoxy-1'-(3-methyl-2-pyridinyl)spiro[3,4-dihydroisochromene-1,4'-piperidine].
What is the SMILES notation for 6-methoxy-1'-(3-methyl-2-pyridinyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]?
The canonical SMILES for 6-methoxy-1'-(3-methyl-2-pyridinyl)spiro[3,4-dihydroisochromene-1,4'-piperidine] is COc1ccc2c(c1)CCOC21CCN(c2ncccc2C)CC1.
What is the InChIKey of 6-methoxy-1'-(3-methyl-2-pyridinyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]?
The InChIKey is CHPHNZDWMRRQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15-4-3-10-21-19(15)22-11-8-20(9-12-22)18-6-5-17(23-2)14-16(18)7-13-24-20/h3-6,10,14H,7-9,11-13H2,1-2H3.
What are the key properties of 6-methoxy-1'-(3-methyl-2-pyridinyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]?
6-methoxy-1'-(3-methyl-2-pyridinyl)spiro[3,4-dihydroisochromene-1,4'-piperidine] has a molecular weight of 324.42 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1'-(3-methyl-2-pyridinyl)spiro[3,4-dihydroisochromene-1,4'-piperidine] is sourced from PubChem (CID 135103863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).