1-benzofuran-2-yl-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone

C20H21N3O3 — CID 122257854

IUPAC1-benzofuran-2-yl-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
SMILESCc1cc(C)nc(OC2CCCN(C(=O)c3cc4ccccc4o3)C2)n1
InChIInChI=1S/C20H21N3O3/c1-13-10-14(2)22-20(21-13)25-16-7-5-9-23(12-16)19(24)18-11-15-6-3-4-8-17(15)26-18/h3-4,6,8,10-11,16H,5,7,9,12H2,1-2H3
InChIKeyZJDFSVSTZKPMGQ-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.52
Rot. Bonds3

About 1-benzofuran-2-yl-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone

1-benzofuran-2-yl-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone (PubChem CID 122257854) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-benzofuran-2-yl-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
PubChem CID122257854
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name1-benzofuran-2-yl-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
SMILESCc1cc(C)nc(OC2CCCN(C(=O)c3cc4ccccc4o3)C2)n1
InChIInChI=1S/C20H21N3O3/c1-13-10-14(2)22-20(21-13)25-16-7-5-9-23(12-16)19(24)18-11-15-6-3-4-8-17(15)26-18/h3-4,6,8,10-11,16H,5,7,9,12H2,1-2H3
InChIKeyZJDFSVSTZKPMGQ-UHFFFAOYSA-N
XLogP3.52
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone
CID 122243567
1-benzofuran-2-yl-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone
CID 122267512
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-pyridin-2-ylmethanone
CID 122257904
(5-methoxy-1-benzofuran-2-yl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257503
1-benzofuran-2-yl-(3-bromopiperidin-1-yl)methanone
CID 80660959
[2-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]phenyl]-phenylmethanone
CID 122257702
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 122257888
[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone
CID 122260175
1-benzofuran-2-yl-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95606705
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 122257799
methyl (3S)-1-(1-benzofuran-2-carbonyl)piperidine-3-carboxylate
CID 78919420
1-benzofuran-2-yl-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 95335476

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone?
The IUPAC name of 1-benzofuran-2-yl-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone (CID 122257854) is 1-benzofuran-2-yl-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone.
What is the SMILES notation for 1-benzofuran-2-yl-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone?
The canonical SMILES for 1-benzofuran-2-yl-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone is Cc1cc(C)nc(OC2CCCN(C(=O)c3cc4ccccc4o3)C2)n1.
What is the InChIKey of 1-benzofuran-2-yl-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone?
The InChIKey is ZJDFSVSTZKPMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13-10-14(2)22-20(21-13)25-16-7-5-9-23(12-16)19(24)18-11-15-6-3-4-8-17(15)26-18/h3-4,6,8,10-11,16H,5,7,9,12H2,1-2H3.
What are the key properties of 1-benzofuran-2-yl-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone?
1-benzofuran-2-yl-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone has a molecular weight of 351.41 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone is sourced from PubChem (CID 122257854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).