1-benzofuran-2-yl-(3-methylpiperidin-3-yl)methanone

C15H17NO2 — CID 114736550

IUPAC1-benzofuran-2-yl-(3-methylpiperidin-3-yl)methanone
SMILESCC1(C(=O)c2cc3ccccc3o2)CCCNC1
InChIInChI=1S/C15H17NO2/c1-15(7-4-8-16-10-15)14(17)13-9-11-5-2-3-6-12(11)18-13/h2-3,5-6,9,16H,4,7-8,10H2,1H3
InChIKeyXUEDTSXKVMSFOJ-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.01
Rot. Bonds2

About 1-benzofuran-2-yl-(3-methylpiperidin-3-yl)methanone

1-benzofuran-2-yl-(3-methylpiperidin-3-yl)methanone (PubChem CID 114736550) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(3-methylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-(3-methylpiperidin-3-yl)methanone
PubChem CID114736550
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name1-benzofuran-2-yl-(3-methylpiperidin-3-yl)methanone
SMILESCC1(C(=O)c2cc3ccccc3o2)CCCNC1
InChIInChI=1S/C15H17NO2/c1-15(7-4-8-16-10-15)14(17)13-9-11-5-2-3-6-12(11)18-13/h2-3,5-6,9,16H,4,7-8,10H2,1H3
InChIKeyXUEDTSXKVMSFOJ-UHFFFAOYSA-N
XLogP3.01
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzofuran-2-yl-(3-propylpiperidin-3-yl)methanone
CID 114736555
(7-chloro-1-benzofuran-2-yl)-(3-methylpiperidin-3-yl)methanone
CID 114736552
1-benzofuran-2-yl-(4-propylpiperidin-4-yl)methanone
CID 114736543
[1-(aminomethyl)cyclobutyl]-(1-benzofuran-2-yl)methanone
CID 114737161
N-[(3-hydroxypyrrolidin-3-yl)methyl]-1-benzofuran-2-carboxamide
CID 114760777
2-[(3R)-3-(1-benzofuran-2-yl)piperidin-3-yl]ethanol
CID 71541292
(4-methylphenyl)-(3-methylpiperidin-3-yl)methanone
CID 116569340
(4-ethylphenyl)-(3-methylpiperidin-3-yl)methanone
CID 116569568
N-[(3R)-piperidin-3-yl]-1-benzofuran-2-carboxamide
CID 93216054
1-(1-benzofuran-2-yl)ethanone
CID 15435
furan-2-yl-(3-methylpyrrolidin-3-yl)methanone
CID 116570107
1-benzofuran-2-yl(piperidin-4-yl)methanone
CID 82275112

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(3-methylpiperidin-3-yl)methanone?
The IUPAC name of 1-benzofuran-2-yl-(3-methylpiperidin-3-yl)methanone (CID 114736550) is 1-benzofuran-2-yl-(3-methylpiperidin-3-yl)methanone.
What is the SMILES notation for 1-benzofuran-2-yl-(3-methylpiperidin-3-yl)methanone?
The canonical SMILES for 1-benzofuran-2-yl-(3-methylpiperidin-3-yl)methanone is CC1(C(=O)c2cc3ccccc3o2)CCCNC1.
What is the InChIKey of 1-benzofuran-2-yl-(3-methylpiperidin-3-yl)methanone?
The InChIKey is XUEDTSXKVMSFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-15(7-4-8-16-10-15)14(17)13-9-11-5-2-3-6-12(11)18-13/h2-3,5-6,9,16H,4,7-8,10H2,1H3.
What are the key properties of 1-benzofuran-2-yl-(3-methylpiperidin-3-yl)methanone?
1-benzofuran-2-yl-(3-methylpiperidin-3-yl)methanone has a molecular weight of 243.31 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(3-methylpiperidin-3-yl)methanone is sourced from PubChem (CID 114736550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).