[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-naphthalen-1-ylmethanone

C27H22N4O2 — CID 92576674

IUPAC[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-naphthalen-1-ylmethanone
SMILESO=C(c1cccc2ccccc12)N1CCC(c2nnc(-c3nccc4ccccc34)o2)CC1
InChIInChI=1S/C27H22N4O2/c32-27(23-11-5-8-18-6-1-3-9-21(18)23)31-16-13-20(14-17-31)25-29-30-26(33-25)24-22-10-4-2-7-19(22)12-15-28-24/h1-12,15,20H,13-14,16-17H2
InChIKeyOPZVNQUWBSURLH-UHFFFAOYSA-N
MW434.50 g/mol
LogP5.46
Rot. Bonds3

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

[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-naphthalen-1-ylmethanone (PubChem CID 92576674) has the molecular formula C27H22N4O2 and a molecular weight of 434.50 g/mol. Its IUPAC name is [4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-naphthalen-1-ylmethanone
PubChem CID92576674
Molecular FormulaC27H22N4O2
Molecular Weight434.50 g/mol
Exact Mass434.17
IUPAC Name[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-naphthalen-1-ylmethanone
SMILESO=C(c1cccc2ccccc12)N1CCC(c2nnc(-c3nccc4ccccc34)o2)CC1
InChIInChI=1S/C27H22N4O2/c32-27(23-11-5-8-18-6-1-3-9-21(18)23)31-16-13-20(14-17-31)25-29-30-26(33-25)24-22-10-4-2-7-19(22)12-15-28-24/h1-12,15,20H,13-14,16-17H2
InChIKeyOPZVNQUWBSURLH-UHFFFAOYSA-N
XLogP5.46
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.50
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-naphthalen-1-ylmethanone with MolForge

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Related Compounds

[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 92560463
[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]-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
N-[[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]pyridine-2-carboxamide
CID 98076075
(2-methylphenyl)-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 92561751
N-[[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-3-methoxybenzamide
CID 98076100
N-[[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-3-phenylprop-2-enamide
CID 171147715
N-[[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-2-pyridin-3-ylacetamide
CID 98076083

Frequently Asked Questions

What is the IUPAC name of [4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-naphthalen-1-ylmethanone (CID 92576674) is [4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-naphthalen-1-ylmethanone is O=C(c1cccc2ccccc12)N1CCC(c2nnc(-c3nccc4ccccc34)o2)CC1.
What is the InChIKey of [4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-naphthalen-1-ylmethanone?
The InChIKey is OPZVNQUWBSURLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O2/c32-27(23-11-5-8-18-6-1-3-9-21(18)23)31-16-13-20(14-17-31)25-29-30-26(33-25)24-22-10-4-2-7-19(22)12-15-28-24/h1-12,15,20H,13-14,16-17H2.
What are the key properties of [4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-naphthalen-1-ylmethanone?
[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-naphthalen-1-ylmethanone has a molecular weight of 434.50 g/mol, XLogP of 5.46, 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]-naphthalen-1-ylmethanone is sourced from PubChem (CID 92576674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).