1-benzofuran-2-yl-(3,5-dimethylpiperidin-1-yl)methanone

C16H19NO2 — CID 24980730

IUPAC1-benzofuran-2-yl-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2cc3ccccc3o2)C1
InChIInChI=1S/C16H19NO2/c1-11-7-12(2)10-17(9-11)16(18)15-8-13-5-3-4-6-14(13)19-15/h3-6,8,11-12H,7,9-10H2,1-2H3
InChIKeyXDDJSBRVFZFVOC-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.55
Rot. Bonds1

About 1-benzofuran-2-yl-(3,5-dimethylpiperidin-1-yl)methanone

1-benzofuran-2-yl-(3,5-dimethylpiperidin-1-yl)methanone (PubChem CID 24980730) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(3,5-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-(3,5-dimethylpiperidin-1-yl)methanone
PubChem CID24980730
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name1-benzofuran-2-yl-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2cc3ccccc3o2)C1
InChIInChI=1S/C16H19NO2/c1-11-7-12(2)10-17(9-11)16(18)15-8-13-5-3-4-6-14(13)19-15/h3-6,8,11-12H,7,9-10H2,1-2H3
InChIKeyXDDJSBRVFZFVOC-UHFFFAOYSA-N
XLogP3.55
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(3,5-dimethylpiperidin-1-yl)methanone?
The IUPAC name of 1-benzofuran-2-yl-(3,5-dimethylpiperidin-1-yl)methanone (CID 24980730) is 1-benzofuran-2-yl-(3,5-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for 1-benzofuran-2-yl-(3,5-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for 1-benzofuran-2-yl-(3,5-dimethylpiperidin-1-yl)methanone is CC1CC(C)CN(C(=O)c2cc3ccccc3o2)C1.
What is the InChIKey of 1-benzofuran-2-yl-(3,5-dimethylpiperidin-1-yl)methanone?
The InChIKey is XDDJSBRVFZFVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11-7-12(2)10-17(9-11)16(18)15-8-13-5-3-4-6-14(13)19-15/h3-6,8,11-12H,7,9-10H2,1-2H3.
What are the key properties of 1-benzofuran-2-yl-(3,5-dimethylpiperidin-1-yl)methanone?
1-benzofuran-2-yl-(3,5-dimethylpiperidin-1-yl)methanone has a molecular weight of 257.33 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(3,5-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 24980730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).