1-(7-methyl-1-benzofuran-2-yl)-2-piperidin-4-ylethanone

C16H19NO2 — CID 114736371

IUPAC1-(7-methyl-1-benzofuran-2-yl)-2-piperidin-4-ylethanone
SMILESCc1cccc2cc(C(=O)CC3CCNCC3)oc12
InChIInChI=1S/C16H19NO2/c1-11-3-2-4-13-10-15(19-16(11)13)14(18)9-12-5-7-17-8-6-12/h2-4,10,12,17H,5-9H2,1H3
InChIKeyLQADOGWHBTVIIX-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.31
Rot. Bonds3

About 1-(7-methyl-1-benzofuran-2-yl)-2-piperidin-4-ylethanone

1-(7-methyl-1-benzofuran-2-yl)-2-piperidin-4-ylethanone (PubChem CID 114736371) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-(7-methyl-1-benzofuran-2-yl)-2-piperidin-4-ylethanone.

Molecular Properties

Compound Name1-(7-methyl-1-benzofuran-2-yl)-2-piperidin-4-ylethanone
PubChem CID114736371
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name1-(7-methyl-1-benzofuran-2-yl)-2-piperidin-4-ylethanone
SMILESCc1cccc2cc(C(=O)CC3CCNCC3)oc12
InChIInChI=1S/C16H19NO2/c1-11-3-2-4-13-10-15(19-16(11)13)14(18)9-12-5-7-17-8-6-12/h2-4,10,12,17H,5-9H2,1H3
InChIKeyLQADOGWHBTVIIX-UHFFFAOYSA-N
XLogP3.31
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 115808413
2-(azetidin-3-yl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114736814
2-(azetidin-3-yl)-1-(7-chloro-1-benzofuran-2-yl)ethanone
CID 114736812
2-cycloheptyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone
CID 115809805
1-(7-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanone
CID 114725200
2-(4-bromophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114724990
2-[1-(aminomethyl)cyclohexyl]-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114737417
2-(2-fluorophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114725093
3-ethoxy-1-(7-methyl-1-benzofuran-2-yl)propan-1-one
CID 105132052
1-(7-fluoro-1-benzofuran-2-yl)-2-morpholin-2-ylethanone
CID 114736887
N,N-dibenzyl-7-methyl-1-benzofuran-2-carboxamide
CID 100795337
N-(2-hydroxy-3-methylphenyl)-2-piperidin-4-ylacetamide
CID 79602863

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-1-benzofuran-2-yl)-2-piperidin-4-ylethanone?
The IUPAC name of 1-(7-methyl-1-benzofuran-2-yl)-2-piperidin-4-ylethanone (CID 114736371) is 1-(7-methyl-1-benzofuran-2-yl)-2-piperidin-4-ylethanone.
What is the SMILES notation for 1-(7-methyl-1-benzofuran-2-yl)-2-piperidin-4-ylethanone?
The canonical SMILES for 1-(7-methyl-1-benzofuran-2-yl)-2-piperidin-4-ylethanone is Cc1cccc2cc(C(=O)CC3CCNCC3)oc12.
What is the InChIKey of 1-(7-methyl-1-benzofuran-2-yl)-2-piperidin-4-ylethanone?
The InChIKey is LQADOGWHBTVIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11-3-2-4-13-10-15(19-16(11)13)14(18)9-12-5-7-17-8-6-12/h2-4,10,12,17H,5-9H2,1H3.
What are the key properties of 1-(7-methyl-1-benzofuran-2-yl)-2-piperidin-4-ylethanone?
1-(7-methyl-1-benzofuran-2-yl)-2-piperidin-4-ylethanone has a molecular weight of 257.33 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyl-1-benzofuran-2-yl)-2-piperidin-4-ylethanone is sourced from PubChem (CID 114736371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).