[4-[6-[(4-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone

C23H25N3O3 — CID 95810807

IUPAC[4-[6-[(4-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
SMILESCOc1ccc(Cc2cccc(C3CCN(C(=O)c4coc(C)n4)CC3)n2)cc1
InChIInChI=1S/C23H25N3O3/c1-16-24-22(15-29-16)23(27)26-12-10-18(11-13-26)21-5-3-4-19(25-21)14-17-6-8-20(28-2)9-7-17/h3-9,15,18H,10-14H2,1-2H3
InChIKeyMTGOICNSHNHYQG-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.00
Rot. Bonds5

About [4-[6-[(4-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone

[4-[6-[(4-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone (PubChem CID 95810807) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is [4-[6-[(4-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[6-[(4-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
PubChem CID95810807
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name[4-[6-[(4-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
SMILESCOc1ccc(Cc2cccc(C3CCN(C(=O)c4coc(C)n4)CC3)n2)cc1
InChIInChI=1S/C23H25N3O3/c1-16-24-22(15-29-16)23(27)26-12-10-18(11-13-26)21-5-3-4-19(25-21)14-17-6-8-20(28-2)9-7-17/h3-9,15,18H,10-14H2,1-2H3
InChIKeyMTGOICNSHNHYQG-UHFFFAOYSA-N
XLogP4.00
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[6-[(4-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone with MolForge

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Related Compounds

[4-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 95810808
(2-methyl-1,3-oxazol-4-yl)-[4-[6-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 95810801
1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 95809910
[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-[4-(4-methoxyphenyl)oxan-4-yl]methanone
CID 129456421
[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 124944341
1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 95817811
[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone
CID 110149919
6-methoxy-3-[1-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-2H-isoquinolin-1-one
CID 95811057
[4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 95823462
[4-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95808984
1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-phenoxyethanone
CID 95809413
[(3R)-3-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 95823457

Frequently Asked Questions

What is the IUPAC name of [4-[6-[(4-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone?
The IUPAC name of [4-[6-[(4-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone (CID 95810807) is [4-[6-[(4-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for [4-[6-[(4-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for [4-[6-[(4-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone is COc1ccc(Cc2cccc(C3CCN(C(=O)c4coc(C)n4)CC3)n2)cc1.
What is the InChIKey of [4-[6-[(4-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone?
The InChIKey is MTGOICNSHNHYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16-24-22(15-29-16)23(27)26-12-10-18(11-13-26)21-5-3-4-19(25-21)14-17-6-8-20(28-2)9-7-17/h3-9,15,18H,10-14H2,1-2H3.
What are the key properties of [4-[6-[(4-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone?
[4-[6-[(4-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone has a molecular weight of 391.47 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-[(4-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 95810807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).