(2-methyl-1-benzofuran-5-yl)-[3-(6-phenyl-2-pyridinyl)piperidin-1-yl]methanone

C26H24N2O2 — CID 110089978

IUPAC(2-methyl-1-benzofuran-5-yl)-[3-(6-phenyl-2-pyridinyl)piperidin-1-yl]methanone
SMILESCc1cc2cc(C(=O)N3CCCC(c4cccc(-c5ccccc5)n4)C3)ccc2o1
InChIInChI=1S/C26H24N2O2/c1-18-15-22-16-20(12-13-25(22)30-18)26(29)28-14-6-9-21(17-28)24-11-5-10-23(27-24)19-7-3-2-4-8-19/h2-5,7-8,10-13,15-16,21H,6,9,14,17H2,1H3
InChIKeyMOTJLDLRMZTGLU-UHFFFAOYSA-N
MW396.49 g/mol
LogP5.82
Rot. Bonds3

About (2-methyl-1-benzofuran-5-yl)-[3-(6-phenyl-2-pyridinyl)piperidin-1-yl]methanone

(2-methyl-1-benzofuran-5-yl)-[3-(6-phenyl-2-pyridinyl)piperidin-1-yl]methanone (PubChem CID 110089978) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is (2-methyl-1-benzofuran-5-yl)-[3-(6-phenyl-2-pyridinyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methyl-1-benzofuran-5-yl)-[3-(6-phenyl-2-pyridinyl)piperidin-1-yl]methanone
PubChem CID110089978
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC Name(2-methyl-1-benzofuran-5-yl)-[3-(6-phenyl-2-pyridinyl)piperidin-1-yl]methanone
SMILESCc1cc2cc(C(=O)N3CCCC(c4cccc(-c5ccccc5)n4)C3)ccc2o1
InChIInChI=1S/C26H24N2O2/c1-18-15-22-16-20(12-13-25(22)30-18)26(29)28-14-6-9-21(17-28)24-11-5-10-23(27-24)19-7-3-2-4-8-19/h2-5,7-8,10-13,15-16,21H,6,9,14,17H2,1H3
InChIKeyMOTJLDLRMZTGLU-UHFFFAOYSA-N
XLogP5.82
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-methyl-1-benzofuran-5-yl)-[3-(6-phenyl-2-pyridinyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95808945
[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95808958
6-[(3S)-1-(2-methyl-1-benzofuran-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 124942458
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 95897770
(2-methyl-1-benzofuran-5-yl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 72864618
(4-fluorophenyl)-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 110249296
N-[3-[6-(1-benzoylpiperidin-3-yl)-2-pyridinyl]phenyl]acetamide
CID 110249286
[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 110259339
[3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
CID 110089801
(2-methyl-1-benzofuran-5-yl)-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 72939536
(2-methyl-1,3-oxazol-4-yl)-[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 95810788
(2-methyl-1-benzofuran-5-yl)-[(3R)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 92555028

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1-benzofuran-5-yl)-[3-(6-phenyl-2-pyridinyl)piperidin-1-yl]methanone?
The IUPAC name of (2-methyl-1-benzofuran-5-yl)-[3-(6-phenyl-2-pyridinyl)piperidin-1-yl]methanone (CID 110089978) is (2-methyl-1-benzofuran-5-yl)-[3-(6-phenyl-2-pyridinyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methyl-1-benzofuran-5-yl)-[3-(6-phenyl-2-pyridinyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methyl-1-benzofuran-5-yl)-[3-(6-phenyl-2-pyridinyl)piperidin-1-yl]methanone is Cc1cc2cc(C(=O)N3CCCC(c4cccc(-c5ccccc5)n4)C3)ccc2o1.
What is the InChIKey of (2-methyl-1-benzofuran-5-yl)-[3-(6-phenyl-2-pyridinyl)piperidin-1-yl]methanone?
The InChIKey is MOTJLDLRMZTGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2/c1-18-15-22-16-20(12-13-25(22)30-18)26(29)28-14-6-9-21(17-28)24-11-5-10-23(27-24)19-7-3-2-4-8-19/h2-5,7-8,10-13,15-16,21H,6,9,14,17H2,1H3.
What are the key properties of (2-methyl-1-benzofuran-5-yl)-[3-(6-phenyl-2-pyridinyl)piperidin-1-yl]methanone?
(2-methyl-1-benzofuran-5-yl)-[3-(6-phenyl-2-pyridinyl)piperidin-1-yl]methanone has a molecular weight of 396.49 g/mol, XLogP of 5.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1-benzofuran-5-yl)-[3-(6-phenyl-2-pyridinyl)piperidin-1-yl]methanone is sourced from PubChem (CID 110089978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).