1-benzofuran-2-yl-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone

C18H22N2O2 — CID 56818112

IUPAC1-benzofuran-2-yl-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1cc2ccccc2o1)N1CCCC(N2CCCC2)C1
InChIInChI=1S/C18H22N2O2/c21-18(17-12-14-6-1-2-8-16(14)22-17)20-11-5-7-15(13-20)19-9-3-4-10-19/h1-2,6,8,12,15H,3-5,7,9-11,13H2
InChIKeyUGXSPJFBLBJSPU-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.13
Rot. Bonds2

About 1-benzofuran-2-yl-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone

1-benzofuran-2-yl-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone (PubChem CID 56818112) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
PubChem CID56818112
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-benzofuran-2-yl-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1cc2ccccc2o1)N1CCCC(N2CCCC2)C1
InChIInChI=1S/C18H22N2O2/c21-18(17-12-14-6-1-2-8-16(14)22-17)20-11-5-7-15(13-20)19-9-3-4-10-19/h1-2,6,8,12,15H,3-5,7,9-11,13H2
InChIKeyUGXSPJFBLBJSPU-UHFFFAOYSA-N
XLogP3.13
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-benzofuran-2-yl-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone 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

1-benzofuran-2-yl-(3-bromopiperidin-1-yl)methanone
CID 80660959
1-benzofuran-2-yl-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95606705
methyl (3S)-1-(1-benzofuran-2-carbonyl)piperidine-3-carboxylate
CID 78919420
1-benzofuran-2-yl-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 95335476
(7-methoxy-1-benzofuran-2-yl)-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone
CID 95616208
(5-bromo-1-benzofuran-2-yl)-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 52877254
(3-aminopyrrolidin-1-yl)-(1-benzofuran-2-yl)methanone;hydrochloride
CID 119482537
1-benzofuran-2-yl-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79403971
[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzofuran-2-yl)methanone
CID 62063378
(3-aminoazetidin-1-yl)-(1-benzofuran-2-yl)methanone
CID 63755277
1-benzofuran-2-yl-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122257854
1-benzofuran-2-yl-(4-chloro-3-methylpiperidin-1-yl)methanone
CID 114683163

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of 1-benzofuran-2-yl-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone (CID 56818112) is 1-benzofuran-2-yl-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for 1-benzofuran-2-yl-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for 1-benzofuran-2-yl-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone is O=C(c1cc2ccccc2o1)N1CCCC(N2CCCC2)C1.
What is the InChIKey of 1-benzofuran-2-yl-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is UGXSPJFBLBJSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c21-18(17-12-14-6-1-2-8-16(14)22-17)20-11-5-7-15(13-20)19-9-3-4-10-19/h1-2,6,8,12,15H,3-5,7,9-11,13H2.
What are the key properties of 1-benzofuran-2-yl-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone?
1-benzofuran-2-yl-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 298.39 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 56818112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).