(5-methoxy-1-benzofuran-2-yl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone

C19H19N3O4 — CID 122257503

IUPAC(5-methoxy-1-benzofuran-2-yl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
SMILESCOc1ccc2oc(C(=O)N3CCCC(Oc4ncccn4)C3)cc2c1
InChIInChI=1S/C19H19N3O4/c1-24-14-5-6-16-13(10-14)11-17(26-16)18(23)22-9-2-4-15(12-22)25-19-20-7-3-8-21-19/h3,5-8,10-11,15H,2,4,9,12H2,1H3
InChIKeyLLRNKRWNENTNHA-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.91
Rot. Bonds4

About (5-methoxy-1-benzofuran-2-yl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone

(5-methoxy-1-benzofuran-2-yl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone (PubChem CID 122257503) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is (5-methoxy-1-benzofuran-2-yl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-methoxy-1-benzofuran-2-yl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
PubChem CID122257503
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name(5-methoxy-1-benzofuran-2-yl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
SMILESCOc1ccc2oc(C(=O)N3CCCC(Oc4ncccn4)C3)cc2c1
InChIInChI=1S/C19H19N3O4/c1-24-14-5-6-16-13(10-14)11-17(26-16)18(23)22-9-2-4-15(12-22)25-19-20-7-3-8-21-19/h3,5-8,10-11,15H,2,4,9,12H2,1H3
InChIKeyLLRNKRWNENTNHA-UHFFFAOYSA-N
XLogP2.91
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5-methoxy-1-benzofuran-2-yl)-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
CID 100624023
1-benzofuran-2-yl-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122257854
1-benzofuran-2-yl-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone
CID 122267512
1-benzofuran-2-yl-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone
CID 42532487
(5-methyl-1-benzofuran-2-yl)-(3-phenoxypyrrolidin-1-yl)methanone
CID 119061394
methyl 4-(3-pyrimidin-2-yloxypiperidine-1-carbonyl)benzoate
CID 122160936
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone
CID 122243567
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(4-methoxyphenyl)methanone
CID 122259305
pyridin-2-yl-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122243549
(5-methoxy-1-benzofuran-2-yl)-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 90642369
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(3-methoxyphenyl)methanone
CID 122258315
2-(3-pyridin-4-yloxypiperidine-1-carbonyl)chromen-4-one
CID 122255813

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-1-benzofuran-2-yl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The IUPAC name of (5-methoxy-1-benzofuran-2-yl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone (CID 122257503) is (5-methoxy-1-benzofuran-2-yl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for (5-methoxy-1-benzofuran-2-yl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The canonical SMILES for (5-methoxy-1-benzofuran-2-yl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone is COc1ccc2oc(C(=O)N3CCCC(Oc4ncccn4)C3)cc2c1.
What is the InChIKey of (5-methoxy-1-benzofuran-2-yl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The InChIKey is LLRNKRWNENTNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-24-14-5-6-16-13(10-14)11-17(26-16)18(23)22-9-2-4-15(12-22)25-19-20-7-3-8-21-19/h3,5-8,10-11,15H,2,4,9,12H2,1H3.
What are the key properties of (5-methoxy-1-benzofuran-2-yl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone?
(5-methoxy-1-benzofuran-2-yl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone has a molecular weight of 353.38 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-1-benzofuran-2-yl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 122257503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).