[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone

C24H22N4O2 — CID 92560463

IUPAC[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCC(c3nnc(-c4nccc5ccccc45)o3)CC2)c1
InChIInChI=1S/C24H22N4O2/c1-16-5-4-7-19(15-16)24(29)28-13-10-18(11-14-28)22-26-27-23(30-22)21-20-8-3-2-6-17(20)9-12-25-21/h2-9,12,15,18H,10-11,13-14H2,1H3
InChIKeyFHNXZIKGPUVGDM-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.61
Rot. Bonds3

About [4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone

[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone (PubChem CID 92560463) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is [4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone
PubChem CID92560463
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCC(c3nnc(-c4nccc5ccccc45)o3)CC2)c1
InChIInChI=1S/C24H22N4O2/c1-16-5-4-7-19(15-16)24(29)28-13-10-18(11-14-28)22-26-27-23(30-22)21-20-8-3-2-6-17(20)9-12-25-21/h2-9,12,15,18H,10-11,13-14H2,1H3
InChIKeyFHNXZIKGPUVGDM-UHFFFAOYSA-N
XLogP4.61
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-naphthalen-1-ylmethanone
CID 92576674
[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 92566218
2-(2-chlorophenyl)-1-[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
CID 92576777
1-[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 92576779
(5-fluoro-1H-indol-2-yl)-[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 92576782
N-[[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-3-methoxybenzamide
CID 98076100
(3-fluorophenyl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 110423668
N-[[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-2-methylbenzamide
CID 98076082
1-[3-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 110235628
1-[(2R)-2-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone
CID 92560333
[3-(dimethylamino)phenyl]-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90543217
N-[[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]pyridine-2-carboxamide
CID 98076075

Frequently Asked Questions

What is the IUPAC name of [4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone?
The IUPAC name of [4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone (CID 92560463) is [4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone.
What is the SMILES notation for [4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone?
The canonical SMILES for [4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone is Cc1cccc(C(=O)N2CCC(c3nnc(-c4nccc5ccccc45)o3)CC2)c1.
What is the InChIKey of [4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone?
The InChIKey is FHNXZIKGPUVGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-16-5-4-7-19(15-16)24(29)28-13-10-18(11-14-28)22-26-27-23(30-22)21-20-8-3-2-6-17(20)9-12-25-21/h2-9,12,15,18H,10-11,13-14H2,1H3.
What are the key properties of [4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone?
[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone has a molecular weight of 398.47 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone is sourced from PubChem (CID 92560463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).