(6-methoxy-1-benzofuran-2-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone

C20H20N2O3 — CID 171781643

IUPAC(6-methoxy-1-benzofuran-2-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
SMILESCOc1ccc2cc(C(=O)N3CCC(c4ccncc4)CC3)oc2c1
InChIInChI=1S/C20H20N2O3/c1-24-17-3-2-16-12-19(25-18(16)13-17)20(23)22-10-6-15(7-11-22)14-4-8-21-9-5-14/h2-5,8-9,12-13,15H,6-7,10-11H2,1H3
InChIKeyVEWJZABKFFPQPD-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.86
Rot. Bonds3

About (6-methoxy-1-benzofuran-2-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone

(6-methoxy-1-benzofuran-2-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone (PubChem CID 171781643) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is (6-methoxy-1-benzofuran-2-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(6-methoxy-1-benzofuran-2-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
PubChem CID171781643
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name(6-methoxy-1-benzofuran-2-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
SMILESCOc1ccc2cc(C(=O)N3CCC(c4ccncc4)CC3)oc2c1
InChIInChI=1S/C20H20N2O3/c1-24-17-3-2-16-12-19(25-18(16)13-17)20(23)22-10-6-15(7-11-22)14-4-8-21-9-5-14/h2-5,8-9,12-13,15H,6-7,10-11H2,1H3
InChIKeyVEWJZABKFFPQPD-UHFFFAOYSA-N
XLogP3.86
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-methoxyphenyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 136529409
2-[(3R)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]chromen-4-one
CID 93480787
[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473746
5-[(3S)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]furan-2-carboxylic acid
CID 124687783
(6-methoxy-3-methyl-1-benzofuran-2-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone
CID 70738903
3-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 51104059
2-[4-(4-methoxyphenyl)piperidin-1-yl]-2-oxoacetic acid
CID 82133438
(2R)-2-amino-1-[4-(4-methoxyphenyl)piperidin-1-yl]propan-1-one
CID 119322388
(2,5-dimethylphenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 136536266
(6-bromo-1-benzofuran-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 84576723
(5-methoxy-1-benzofuran-2-yl)-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
CID 100624023
2-[3-(4-methoxyphenyl)azepane-1-carbonyl]chromen-4-one
CID 121147054

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-1-benzofuran-2-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone?
The IUPAC name of (6-methoxy-1-benzofuran-2-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone (CID 171781643) is (6-methoxy-1-benzofuran-2-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (6-methoxy-1-benzofuran-2-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone?
The canonical SMILES for (6-methoxy-1-benzofuran-2-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone is COc1ccc2cc(C(=O)N3CCC(c4ccncc4)CC3)oc2c1.
What is the InChIKey of (6-methoxy-1-benzofuran-2-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone?
The InChIKey is VEWJZABKFFPQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-24-17-3-2-16-12-19(25-18(16)13-17)20(23)22-10-6-15(7-11-22)14-4-8-21-9-5-14/h2-5,8-9,12-13,15H,6-7,10-11H2,1H3.
What are the key properties of (6-methoxy-1-benzofuran-2-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone?
(6-methoxy-1-benzofuran-2-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone has a molecular weight of 336.39 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-1-benzofuran-2-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 171781643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).