2-[[1-[furan-2-yl(phenyl)methyl]piperidin-4-yl]methyl]-1,3-dihydroisoindole-1-carbaldehyde

C26H28N2O2 — CID 174456438

IUPAC2-[[1-[furan-2-yl(phenyl)methyl]piperidin-4-yl]methyl]-1,3-dihydroisoindole-1-carbaldehyde
SMILESO=CC1c2ccccc2CN1CC1CCN(C(c2ccccc2)c2ccco2)CC1
InChIInChI=1S/C26H28N2O2/c29-19-24-23-10-5-4-9-22(23)18-28(24)17-20-12-14-27(15-13-20)26(25-11-6-16-30-25)21-7-2-1-3-8-21/h1-11,16,19-20,24,26H,12-15,17-18H2
InChIKeyZIQXLFKAERAMMV-UHFFFAOYSA-N
MW400.52 g/mol
LogP4.84
Rot. Bonds6

About 2-[[1-[furan-2-yl(phenyl)methyl]piperidin-4-yl]methyl]-1,3-dihydroisoindole-1-carbaldehyde

2-[[1-[furan-2-yl(phenyl)methyl]piperidin-4-yl]methyl]-1,3-dihydroisoindole-1-carbaldehyde (PubChem CID 174456438) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is 2-[[1-[furan-2-yl(phenyl)methyl]piperidin-4-yl]methyl]-1,3-dihydroisoindole-1-carbaldehyde.

Molecular Properties

Compound Name2-[[1-[furan-2-yl(phenyl)methyl]piperidin-4-yl]methyl]-1,3-dihydroisoindole-1-carbaldehyde
PubChem CID174456438
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name2-[[1-[furan-2-yl(phenyl)methyl]piperidin-4-yl]methyl]-1,3-dihydroisoindole-1-carbaldehyde
SMILESO=CC1c2ccccc2CN1CC1CCN(C(c2ccccc2)c2ccco2)CC1
InChIInChI=1S/C26H28N2O2/c29-19-24-23-10-5-4-9-22(23)18-28(24)17-20-12-14-27(15-13-20)26(25-11-6-16-30-25)21-7-2-1-3-8-21/h1-11,16,19-20,24,26H,12-15,17-18H2
InChIKeyZIQXLFKAERAMMV-UHFFFAOYSA-N
XLogP4.84
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-[[1-[furan-2-yl(phenyl)methyl]piperidin-4-yl]methyl]-1,3-dihydroisoindole-1-carbaldehyde 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

(+/-)-threo-N-(2-Methylfuran)methylphenidate
CID 52947085
2-furyl-[(3S,4S)-3-phenyl-4-[(4-phenyl-1-piperidyl)methyl]pyrrolidin-1-yl]methanone
CID 489821
1'-(furan-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride
CID 54585706
2-[1-(furan-2-ylmethyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide
CID 73776941
2-(2-furylmethyl)-1H-isoindole-1,3(2H)-dione
CID 758210
4-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide
CID 1164668
2-cyclohexyl-N-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 1289087
2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(2-furylmethyl)-3-phenylpropanamide
CID 2787068
2-Cyclohexyl-7-{[4-(2-furoyl)piperazin-1-yl]carbonyl}isoindolin-1-one
CID 3245259
(2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-1-furan-2-ylmethyl-2-phenyl-piperidine
CID 10552836
1-(2-Benzhydryloxy-ethyl)-4-benzofuran-2-ylmethyl-piperazine
CID 10812364
N-[2-(furan-2-yl)-2-(piperidin-1-yl)ethyl]-2,2-diphenylacetamide
CID 16196339

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[furan-2-yl(phenyl)methyl]piperidin-4-yl]methyl]-1,3-dihydroisoindole-1-carbaldehyde?
The IUPAC name of 2-[[1-[furan-2-yl(phenyl)methyl]piperidin-4-yl]methyl]-1,3-dihydroisoindole-1-carbaldehyde (CID 174456438) is 2-[[1-[furan-2-yl(phenyl)methyl]piperidin-4-yl]methyl]-1,3-dihydroisoindole-1-carbaldehyde.
What is the SMILES notation for 2-[[1-[furan-2-yl(phenyl)methyl]piperidin-4-yl]methyl]-1,3-dihydroisoindole-1-carbaldehyde?
The canonical SMILES for 2-[[1-[furan-2-yl(phenyl)methyl]piperidin-4-yl]methyl]-1,3-dihydroisoindole-1-carbaldehyde is O=CC1c2ccccc2CN1CC1CCN(C(c2ccccc2)c2ccco2)CC1.
What is the InChIKey of 2-[[1-[furan-2-yl(phenyl)methyl]piperidin-4-yl]methyl]-1,3-dihydroisoindole-1-carbaldehyde?
The InChIKey is ZIQXLFKAERAMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c29-19-24-23-10-5-4-9-22(23)18-28(24)17-20-12-14-27(15-13-20)26(25-11-6-16-30-25)21-7-2-1-3-8-21/h1-11,16,19-20,24,26H,12-15,17-18H2.
What are the key properties of 2-[[1-[furan-2-yl(phenyl)methyl]piperidin-4-yl]methyl]-1,3-dihydroisoindole-1-carbaldehyde?
2-[[1-[furan-2-yl(phenyl)methyl]piperidin-4-yl]methyl]-1,3-dihydroisoindole-1-carbaldehyde has a molecular weight of 400.52 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[furan-2-yl(phenyl)methyl]piperidin-4-yl]methyl]-1,3-dihydroisoindole-1-carbaldehyde is sourced from PubChem (CID 174456438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).