2-[1-(2,3-dihydro-1-benzofuran-3-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone

C20H26N2O3 — CID 136525380

IUPAC2-[1-(2,3-dihydro-1-benzofuran-3-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CC1CCN(C(=O)C2COc3ccccc32)CC1)N1CCCC1
InChIInChI=1S/C20H26N2O3/c23-19(21-9-3-4-10-21)13-15-7-11-22(12-8-15)20(24)17-14-25-18-6-2-1-5-16(17)18/h1-2,5-6,15,17H,3-4,7-14H2
InChIKeyQYBBUOHBNSDFHF-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.41
Rot. Bonds3

About 2-[1-(2,3-dihydro-1-benzofuran-3-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone

2-[1-(2,3-dihydro-1-benzofuran-3-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 136525380) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[1-(2,3-dihydro-1-benzofuran-3-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[1-(2,3-dihydro-1-benzofuran-3-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
PubChem CID136525380
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name2-[1-(2,3-dihydro-1-benzofuran-3-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CC1CCN(C(=O)C2COc3ccccc32)CC1)N1CCCC1
InChIInChI=1S/C20H26N2O3/c23-19(21-9-3-4-10-21)13-15-7-11-22(12-8-15)20(24)17-14-25-18-6-2-1-5-16(17)18/h1-2,5-6,15,17H,3-4,7-14H2
InChIKeyQYBBUOHBNSDFHF-UHFFFAOYSA-N
XLogP2.41
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-1-yl)-2-(2,3-dihydro-1-benzofuran-3-yl)ethanone
CID 110753812
[4-(bromomethyl)piperidin-1-yl]-(3,4-dihydro-2H-chromen-4-yl)methanone
CID 80678666
2-cyclohexyl-1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]ethanone
CID 51150219
2,3-dihydro-1-benzofuran-3-yl-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304370
3,4-dihydro-2H-chromen-4-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63710835
2-[(2R)-4-[(3R)-2,3-dihydro-1-benzofuran-3-carbonyl]morpholin-2-yl]acetic acid
CID 124515413
2-[1-(2,3-dihydro-1-benzofuran-3-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102657573
5-[1-(2,3-dihydro-1-benzofuran-3-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
CID 154857998
1-(2,3-dihydro-1-benzofuran-3-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104595372
[3-(aminomethyl)pyrrolidin-1-yl]-(3,4-dihydro-2H-chromen-4-yl)methanone
CID 55228016
[(3S)-2,3-dihydro-1-benzofuran-3-yl]-[(1R,6R)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
CID 98346719
1-(azepan-1-yl)-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]ethanone
CID 46295186

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dihydro-1-benzofuran-3-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[1-(2,3-dihydro-1-benzofuran-3-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone (CID 136525380) is 2-[1-(2,3-dihydro-1-benzofuran-3-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[1-(2,3-dihydro-1-benzofuran-3-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[1-(2,3-dihydro-1-benzofuran-3-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone is O=C(CC1CCN(C(=O)C2COc3ccccc32)CC1)N1CCCC1.
What is the InChIKey of 2-[1-(2,3-dihydro-1-benzofuran-3-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is QYBBUOHBNSDFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c23-19(21-9-3-4-10-21)13-15-7-11-22(12-8-15)20(24)17-14-25-18-6-2-1-5-16(17)18/h1-2,5-6,15,17H,3-4,7-14H2.
What are the key properties of 2-[1-(2,3-dihydro-1-benzofuran-3-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone?
2-[1-(2,3-dihydro-1-benzofuran-3-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 342.44 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dihydro-1-benzofuran-3-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 136525380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).