2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]-1-piperidin-1-ylpropan-1-one

C16H22N2O3 — CID 60931257

IUPAC2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]-1-piperidin-1-ylpropan-1-one
SMILESCC(NC1COc2cc(O)ccc21)C(=O)N1CCCCC1
InChIInChI=1S/C16H22N2O3/c1-11(16(20)18-7-3-2-4-8-18)17-14-10-21-15-9-12(19)5-6-13(14)15/h5-6,9,11,14,17,19H,2-4,7-8,10H2,1H3
InChIKeyGWWCFIQPTSSHTJ-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.82
Rot. Bonds3

About 2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]-1-piperidin-1-ylpropan-1-one

2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]-1-piperidin-1-ylpropan-1-one (PubChem CID 60931257) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]-1-piperidin-1-ylpropan-1-one
PubChem CID60931257
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]-1-piperidin-1-ylpropan-1-one
SMILESCC(NC1COc2cc(O)ccc21)C(=O)N1CCCCC1
InChIInChI=1S/C16H22N2O3/c1-11(16(20)18-7-3-2-4-8-18)17-14-10-21-15-9-12(19)5-6-13(14)15/h5-6,9,11,14,17,19H,2-4,7-8,10H2,1H3
InChIKeyGWWCFIQPTSSHTJ-UHFFFAOYSA-N
XLogP1.82
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]-1-piperidin-1-ylpropan-1-one (CID 60931257) is 2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]-1-piperidin-1-ylpropan-1-one is CC(NC1COc2cc(O)ccc21)C(=O)N1CCCCC1.
What is the InChIKey of 2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is GWWCFIQPTSSHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11(16(20)18-7-3-2-4-8-18)17-14-10-21-15-9-12(19)5-6-13(14)15/h5-6,9,11,14,17,19H,2-4,7-8,10H2,1H3.
What are the key properties of 2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]-1-piperidin-1-ylpropan-1-one?
2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 290.36 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 60931257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).