2-(2,3-dihydro-1-benzofuran-5-yl)-1-[(2R)-2-pyridin-4-ylazepan-1-yl]ethanone

C21H24N2O2 — CID 94249722

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-1-[(2R)-2-pyridin-4-ylazepan-1-yl]ethanone
SMILESO=C(Cc1ccc2c(c1)CCO2)N1CCCCC[C@@H]1c1ccncc1
InChIInChI=1S/C21H24N2O2/c24-21(15-16-5-6-20-18(14-16)9-13-25-20)23-12-3-1-2-4-19(23)17-7-10-22-11-8-17/h5-8,10-11,14,19H,1-4,9,12-13,15H2/t19-/m1/s1
InChIKeyANZLMPVVPYVYGM-LJQANCHMSA-N
MW336.44 g/mol
LogP3.70
Rot. Bonds3

About 2-(2,3-dihydro-1-benzofuran-5-yl)-1-[(2R)-2-pyridin-4-ylazepan-1-yl]ethanone

2-(2,3-dihydro-1-benzofuran-5-yl)-1-[(2R)-2-pyridin-4-ylazepan-1-yl]ethanone (PubChem CID 94249722) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-1-[(2R)-2-pyridin-4-ylazepan-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-1-[(2R)-2-pyridin-4-ylazepan-1-yl]ethanone
PubChem CID94249722
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-1-[(2R)-2-pyridin-4-ylazepan-1-yl]ethanone
SMILESO=C(Cc1ccc2c(c1)CCO2)N1CCCCC[C@@H]1c1ccncc1
InChIInChI=1S/C21H24N2O2/c24-21(15-16-5-6-20-18(14-16)9-13-25-20)23-12-3-1-2-4-19(23)17-7-10-22-11-8-17/h5-8,10-11,14,19H,1-4,9,12-13,15H2/t19-/m1/s1
InChIKeyANZLMPVVPYVYGM-LJQANCHMSA-N
XLogP3.70
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2,3-dihydro-1-benzofuran-5-yl)-1-[(2R)-2-pyridin-4-ylazepan-1-yl]ethanone with MolForge

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Related Compounds

1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 110801124
(2R)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 126446067
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(2-pyridin-4-ylazepan-1-yl)ethanone
CID 55764471
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 46693300
1-[(1S,2R,9R,10S)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-en-3-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 100623340
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide
CID 55493627
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 110801709
2-(2,3-dihydro-1-benzofuran-5-yl)acetate
CID 7130264
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 78807045
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 56813210
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-2-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 110807578
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone
CID 110240369

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-1-[(2R)-2-pyridin-4-ylazepan-1-yl]ethanone?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-1-[(2R)-2-pyridin-4-ylazepan-1-yl]ethanone (CID 94249722) is 2-(2,3-dihydro-1-benzofuran-5-yl)-1-[(2R)-2-pyridin-4-ylazepan-1-yl]ethanone.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-1-[(2R)-2-pyridin-4-ylazepan-1-yl]ethanone?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-1-[(2R)-2-pyridin-4-ylazepan-1-yl]ethanone is O=C(Cc1ccc2c(c1)CCO2)N1CCCCC[C@@H]1c1ccncc1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-1-[(2R)-2-pyridin-4-ylazepan-1-yl]ethanone?
The InChIKey is ANZLMPVVPYVYGM-LJQANCHMSA-N. The full InChI is InChI=1S/C21H24N2O2/c24-21(15-16-5-6-20-18(14-16)9-13-25-20)23-12-3-1-2-4-19(23)17-7-10-22-11-8-17/h5-8,10-11,14,19H,1-4,9,12-13,15H2/t19-/m1/s1.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-1-[(2R)-2-pyridin-4-ylazepan-1-yl]ethanone?
2-(2,3-dihydro-1-benzofuran-5-yl)-1-[(2R)-2-pyridin-4-ylazepan-1-yl]ethanone has a molecular weight of 336.44 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)-1-[(2R)-2-pyridin-4-ylazepan-1-yl]ethanone is sourced from PubChem (CID 94249722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).