2-[[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]methyl]-1,3-dihydroisoindole

C22H29N3O — CID 45377227

IUPAC2-[[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]methyl]-1,3-dihydroisoindole
SMILESCC(C)N1CCC(Oc2ccc(CN3Cc4ccccc4C3)cn2)CC1
InChIInChI=1S/C22H29N3O/c1-17(2)25-11-9-21(10-12-25)26-22-8-7-18(13-23-22)14-24-15-19-5-3-4-6-20(19)16-24/h3-8,13,17,21H,9-12,14-16H2,1-2H3
InChIKeyQGHHAKVYRJJOSG-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.85
Rot. Bonds5

About 2-[[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]methyl]-1,3-dihydroisoindole

2-[[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]methyl]-1,3-dihydroisoindole (PubChem CID 45377227) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 2-[[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]methyl]-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-[[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]methyl]-1,3-dihydroisoindole
PubChem CID45377227
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name2-[[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]methyl]-1,3-dihydroisoindole
SMILESCC(C)N1CCC(Oc2ccc(CN3Cc4ccccc4C3)cn2)CC1
InChIInChI=1S/C22H29N3O/c1-17(2)25-11-9-21(10-12-25)26-22-8-7-18(13-23-22)14-24-15-19-5-3-4-6-20(19)16-24/h3-8,13,17,21H,9-12,14-16H2,1-2H3
InChIKeyQGHHAKVYRJJOSG-UHFFFAOYSA-N
XLogP3.85
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]methyl]-1,3-dihydroisoindole with MolForge

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

Launch Full Analysis

Related Compounds

4-[[5-(1,3-dihydroisoindol-2-ylmethyl)-2-pyridinyl]oxy]piperidine-1-carbaldehyde
CID 143978228
1-[[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]methyl]-2,3-dihydroindole
CID 45377231
N-phenyl-6-(1-propan-2-ylpiperidin-4-yl)oxypyridin-3-amine
CID 66783817
6-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917562
6-[(6-cyclohexyloxy-3-pyridinyl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917578
1-propan-2-yl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperazine
CID 126752868
6-[(6-cyclohexyloxy-3-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917583
6-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917570
2-(1-benzylpyrrolidin-3-yl)oxy-5-bromopyridine
CID 62918212
2-fluoro-6-[1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]oxypyridine
CID 171999952
6-[(6-cyclohexyloxy-3-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917586
2-[6-[1-(2-methylpropyl)piperidin-4-yl]oxypyridine-3-carbonyl]-3H-isoindol-1-one
CID 45377359

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]methyl]-1,3-dihydroisoindole?
The IUPAC name of 2-[[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]methyl]-1,3-dihydroisoindole (CID 45377227) is 2-[[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]methyl]-1,3-dihydroisoindole.
What is the SMILES notation for 2-[[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]methyl]-1,3-dihydroisoindole?
The canonical SMILES for 2-[[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]methyl]-1,3-dihydroisoindole is CC(C)N1CCC(Oc2ccc(CN3Cc4ccccc4C3)cn2)CC1.
What is the InChIKey of 2-[[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]methyl]-1,3-dihydroisoindole?
The InChIKey is QGHHAKVYRJJOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-17(2)25-11-9-21(10-12-25)26-22-8-7-18(13-23-22)14-24-15-19-5-3-4-6-20(19)16-24/h3-8,13,17,21H,9-12,14-16H2,1-2H3.
What are the key properties of 2-[[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]methyl]-1,3-dihydroisoindole?
2-[[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]methyl]-1,3-dihydroisoindole has a molecular weight of 351.49 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]methyl]-1,3-dihydroisoindole is sourced from PubChem (CID 45377227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).