1-(5-methyl-1-benzofuran-2-yl)-2-piperidin-4-yloxyethanone

C16H19NO3 — CID 114736583

IUPAC1-(5-methyl-1-benzofuran-2-yl)-2-piperidin-4-yloxyethanone
SMILESCc1ccc2oc(C(=O)COC3CCNCC3)cc2c1
InChIInChI=1S/C16H19NO3/c1-11-2-3-15-12(8-11)9-16(20-15)14(18)10-19-13-4-6-17-7-5-13/h2-3,8-9,13,17H,4-7,10H2,1H3
InChIKeyNVWPFTRMMFNRIC-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.69
Rot. Bonds4

About 1-(5-methyl-1-benzofuran-2-yl)-2-piperidin-4-yloxyethanone

1-(5-methyl-1-benzofuran-2-yl)-2-piperidin-4-yloxyethanone (PubChem CID 114736583) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-(5-methyl-1-benzofuran-2-yl)-2-piperidin-4-yloxyethanone.

Molecular Properties

Compound Name1-(5-methyl-1-benzofuran-2-yl)-2-piperidin-4-yloxyethanone
PubChem CID114736583
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name1-(5-methyl-1-benzofuran-2-yl)-2-piperidin-4-yloxyethanone
SMILESCc1ccc2oc(C(=O)COC3CCNCC3)cc2c1
InChIInChI=1S/C16H19NO3/c1-11-2-3-15-12(8-11)9-16(20-15)14(18)10-19-13-4-6-17-7-5-13/h2-3,8-9,13,17H,4-7,10H2,1H3
InChIKeyNVWPFTRMMFNRIC-UHFFFAOYSA-N
XLogP2.69
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1-benzofuran-2-yl)-2-piperidin-4-yloxyethanone?
The IUPAC name of 1-(5-methyl-1-benzofuran-2-yl)-2-piperidin-4-yloxyethanone (CID 114736583) is 1-(5-methyl-1-benzofuran-2-yl)-2-piperidin-4-yloxyethanone.
What is the SMILES notation for 1-(5-methyl-1-benzofuran-2-yl)-2-piperidin-4-yloxyethanone?
The canonical SMILES for 1-(5-methyl-1-benzofuran-2-yl)-2-piperidin-4-yloxyethanone is Cc1ccc2oc(C(=O)COC3CCNCC3)cc2c1.
What is the InChIKey of 1-(5-methyl-1-benzofuran-2-yl)-2-piperidin-4-yloxyethanone?
The InChIKey is NVWPFTRMMFNRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-11-2-3-15-12(8-11)9-16(20-15)14(18)10-19-13-4-6-17-7-5-13/h2-3,8-9,13,17H,4-7,10H2,1H3.
What are the key properties of 1-(5-methyl-1-benzofuran-2-yl)-2-piperidin-4-yloxyethanone?
1-(5-methyl-1-benzofuran-2-yl)-2-piperidin-4-yloxyethanone has a molecular weight of 273.33 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1-benzofuran-2-yl)-2-piperidin-4-yloxyethanone is sourced from PubChem (CID 114736583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).