3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one;hydrochloride

C23H26ClNO2 — CID 66572872

IUPAC3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one;hydrochloride
SMILESCl.O=C(CCN1CC=C(Cc2ccccc2)CC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C23H25NO2.ClH/c25-22(20-6-7-23-21(17-20)11-15-26-23)10-14-24-12-8-19(9-13-24)16-18-4-2-1-3-5-18;/h1-8,17H,9-16H2;1H
InChIKeyHFHRXGDMBKDYOS-UHFFFAOYSA-N
MW383.92 g/mol
LogP4.49
Rot. Bonds6

About 3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one;hydrochloride

3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one;hydrochloride (PubChem CID 66572872) has the molecular formula C23H26ClNO2 and a molecular weight of 383.92 g/mol. Its IUPAC name is 3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one;hydrochloride
PubChem CID66572872
Molecular FormulaC23H26ClNO2
Molecular Weight383.92 g/mol
Exact Mass383.17
IUPAC Name3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one;hydrochloride
SMILESCl.O=C(CCN1CC=C(Cc2ccccc2)CC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C23H25NO2.ClH/c25-22(20-6-7-23-21(17-20)11-15-26-23)10-14-24-12-8-19(9-13-24)16-18-4-2-1-3-5-18;/h1-8,17H,9-16H2;1H
InChIKeyHFHRXGDMBKDYOS-UHFFFAOYSA-N
XLogP4.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1-benzylpiperidin-4-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 19108487
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
1-(4-benzylphenyl)-3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 10251306
2-anilino-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 116555381
1-(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-piperidin-1-ylpropan-1-one;dihydrochloride
CID 19375517
1-(2,3-dihydro-1-benzofuran-5-yl)-4-methylpentan-1-one
CID 43160511
1-(2,3-dihydro-1-benzofuran-5-yl)undecan-1-one
CID 102469747
3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-(4-phenylphenyl)propan-1-one
CID 10474151
3-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzoic acid
CID 116927154
2-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]isoindole-1,3-dione
CID 47016579
5-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylpentan-1-one
CID 65441462
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dihydroindol-1-yl)propan-1-one;hydrochloride
CID 6603016

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one;hydrochloride?
The IUPAC name of 3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one;hydrochloride (CID 66572872) is 3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one;hydrochloride?
The canonical SMILES for 3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one;hydrochloride is Cl.O=C(CCN1CC=C(Cc2ccccc2)CC1)c1ccc2c(c1)CCO2.
What is the InChIKey of 3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one;hydrochloride?
The InChIKey is HFHRXGDMBKDYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2.ClH/c25-22(20-6-7-23-21(17-20)11-15-26-23)10-14-24-12-8-19(9-13-24)16-18-4-2-1-3-5-18;/h1-8,17H,9-16H2;1H.
What are the key properties of 3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one;hydrochloride?
3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one;hydrochloride has a molecular weight of 383.92 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 66572872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).