(4-anilinopiperidin-1-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanone

C20H22N2O2 — CID 49263402

IUPAC(4-anilinopiperidin-1-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
SMILESO=C(c1ccc2c(c1)COC2)N1CCC(Nc2ccccc2)CC1
InChIInChI=1S/C20H22N2O2/c23-20(15-6-7-16-13-24-14-17(16)12-15)22-10-8-19(9-11-22)21-18-4-2-1-3-5-18/h1-7,12,19,21H,8-11,13-14H2
InChIKeyMYTSJOKUCYBVDV-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.43
Rot. Bonds3

About (4-anilinopiperidin-1-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanone

(4-anilinopiperidin-1-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanone (PubChem CID 49263402) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (4-anilinopiperidin-1-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanone.

Molecular Properties

Compound Name(4-anilinopiperidin-1-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
PubChem CID49263402
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name(4-anilinopiperidin-1-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
SMILESO=C(c1ccc2c(c1)COC2)N1CCC(Nc2ccccc2)CC1
InChIInChI=1S/C20H22N2O2/c23-20(15-6-7-16-13-24-14-17(16)12-15)22-10-8-19(9-11-22)21-18-4-2-1-3-5-18/h1-7,12,19,21H,8-11,13-14H2
InChIKeyMYTSJOKUCYBVDV-UHFFFAOYSA-N
XLogP3.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-anilinopiperidin-1-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanone?
The IUPAC name of (4-anilinopiperidin-1-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanone (CID 49263402) is (4-anilinopiperidin-1-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanone.
What is the SMILES notation for (4-anilinopiperidin-1-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanone?
The canonical SMILES for (4-anilinopiperidin-1-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanone is O=C(c1ccc2c(c1)COC2)N1CCC(Nc2ccccc2)CC1.
What is the InChIKey of (4-anilinopiperidin-1-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanone?
The InChIKey is MYTSJOKUCYBVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c23-20(15-6-7-16-13-24-14-17(16)12-15)22-10-8-19(9-11-22)21-18-4-2-1-3-5-18/h1-7,12,19,21H,8-11,13-14H2.
What are the key properties of (4-anilinopiperidin-1-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanone?
(4-anilinopiperidin-1-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanone has a molecular weight of 322.41 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-anilinopiperidin-1-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanone is sourced from PubChem (CID 49263402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).