[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-pyridin-2-ylmethanone

C20H22N2O2 — CID 131945300

IUPAC[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)C1CCCN(Cc2ccc3c(c2)CCO3)C1
InChIInChI=1S/C20H22N2O2/c23-20(18-5-1-2-9-21-18)17-4-3-10-22(14-17)13-15-6-7-19-16(12-15)8-11-24-19/h1-2,5-7,9,12,17H,3-4,8,10-11,13-14H2
InChIKeyQGUCYYXHFANERF-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.11
Rot. Bonds4

About [1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-pyridin-2-ylmethanone

[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-pyridin-2-ylmethanone (PubChem CID 131945300) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is [1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-pyridin-2-ylmethanone
PubChem CID131945300
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)C1CCCN(Cc2ccc3c(c2)CCO3)C1
InChIInChI=1S/C20H22N2O2/c23-20(18-5-1-2-9-21-18)17-4-3-10-22(14-17)13-15-6-7-19-16(12-15)8-11-24-19/h1-2,5-7,9,12,17H,3-4,8,10-11,13-14H2
InChIKeyQGUCYYXHFANERF-UHFFFAOYSA-N
XLogP3.11
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-pyridin-2-ylmethanone?
The IUPAC name of [1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-pyridin-2-ylmethanone (CID 131945300) is [1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)C1CCCN(Cc2ccc3c(c2)CCO3)C1.
What is the InChIKey of [1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-pyridin-2-ylmethanone?
The InChIKey is QGUCYYXHFANERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c23-20(18-5-1-2-9-21-18)17-4-3-10-22(14-17)13-15-6-7-19-16(12-15)8-11-24-19/h1-2,5-7,9,12,17H,3-4,8,10-11,13-14H2.
What are the key properties of [1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-pyridin-2-ylmethanone?
[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-pyridin-2-ylmethanone has a molecular weight of 322.41 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 131945300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).