2-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide

C24H25N3O2 — CID 55493627

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide
SMILESO=C(Cc1ccc2c(c1)CCO2)Nc1ccc(N2CCCCC2)c2ccncc12
InChIInChI=1S/C24H25N3O2/c28-24(15-17-4-7-23-18(14-17)9-13-29-23)26-21-5-6-22(27-11-2-1-3-12-27)19-8-10-25-16-20(19)21/h4-8,10,14,16H,1-3,9,11-13,15H2,(H,26,28)
InChIKeyAHBAVTVVRNENEL-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.34
Rot. Bonds4

About 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide

2-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide (PubChem CID 55493627) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide
PubChem CID55493627
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide
SMILESO=C(Cc1ccc2c(c1)CCO2)Nc1ccc(N2CCCCC2)c2ccncc12
InChIInChI=1S/C24H25N3O2/c28-24(15-17-4-7-23-18(14-17)9-13-29-23)26-21-5-6-22(27-11-2-1-3-12-27)19-8-10-25-16-20(19)21/h4-8,10,14,16H,1-3,9,11-13,15H2,(H,26,28)
InChIKeyAHBAVTVVRNENEL-UHFFFAOYSA-N
XLogP4.34
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-fluorophenyl)methylcarbamoylamino]-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide
CID 37314134
2-(9-oxoacridin-10-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide
CID 55501395
2-(2,3-dihydro-1-benzofuran-5-yl)-1-[(2R)-2-pyridin-4-ylazepan-1-yl]ethanone
CID 94249722
N-[4-oxo-4-[(5-piperidin-1-ylisoquinolin-8-yl)amino]butyl]benzamide
CID 39235528
2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide
CID 95154350
2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide
CID 95154351
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 55486530
2-iodo-N-(5-piperidin-1-ylisoquinolin-8-yl)benzamide
CID 25413509
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-fluorophenyl)acetamide
CID 51309459
N-(2-chloro-4-fluorophenyl)-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide
CID 51309755
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-ethynylphenyl)acetamide
CID 51337859
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 17493168

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide (CID 55493627) is 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide is O=C(Cc1ccc2c(c1)CCO2)Nc1ccc(N2CCCCC2)c2ccncc12.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide?
The InChIKey is AHBAVTVVRNENEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c28-24(15-17-4-7-23-18(14-17)9-13-29-23)26-21-5-6-22(27-11-2-1-3-12-27)19-8-10-25-16-20(19)21/h4-8,10,14,16H,1-3,9,11-13,15H2,(H,26,28).
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide?
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide has a molecular weight of 387.48 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide is sourced from PubChem (CID 55493627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).