1-[3-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one

C25H24N4O2 — CID 110235628

IUPAC1-[3-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCCC(c2nnc(-c3nccc4ccccc34)o2)C1
InChIInChI=1S/C25H24N4O2/c30-22(13-12-18-7-2-1-3-8-18)29-16-6-10-20(17-29)24-27-28-25(31-24)23-21-11-5-4-9-19(21)14-15-26-23/h1-5,7-9,11,14-15,20H,6,10,12-13,16-17H2
InChIKeyHATUCVWNYLWEGZ-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.62
Rot. Bonds5

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

1-[3-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one (PubChem CID 110235628) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 1-[3-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[3-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
PubChem CID110235628
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name1-[3-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCCC(c2nnc(-c3nccc4ccccc34)o2)C1
InChIInChI=1S/C25H24N4O2/c30-22(13-12-18-7-2-1-3-8-18)29-16-6-10-20(17-29)24-27-28-25(31-24)23-21-11-5-4-9-19(21)14-15-26-23/h1-5,7-9,11,14-15,20H,6,10,12-13,16-17H2
InChIKeyHATUCVWNYLWEGZ-UHFFFAOYSA-N
XLogP4.62
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

3-phenyl-1-[(3R)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one
CID 92574587
1-[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 92576779
[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-naphthalen-1-ylmethanone
CID 92576674
2-(2-chlorophenyl)-1-[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
CID 92576777
2-(1,3-dihydroisoindol-2-yl)-1-[(2S)-2-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 92576727
[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 92566218
1-[(3R)-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenylethanone
CID 99963593
[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 92560463
2-[(3R)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-isoquinolin-1-yl-1,3,4-oxadiazole
CID 92590167
1-[(3S)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one
CID 99963533
3-phenyl-1-(3-phenylazepan-1-yl)propan-1-one
CID 90608490
1-[(3S)-3-[3-(2-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 95818890

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[3-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one (CID 110235628) is 1-[3-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[3-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[3-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one is O=C(CCc1ccccc1)N1CCCC(c2nnc(-c3nccc4ccccc34)o2)C1.
What is the InChIKey of 1-[3-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is HATUCVWNYLWEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c30-22(13-12-18-7-2-1-3-8-18)29-16-6-10-20(17-29)24-27-28-25(31-24)23-21-11-5-4-9-19(21)14-15-26-23/h1-5,7-9,11,14-15,20H,6,10,12-13,16-17H2.
What are the key properties of 1-[3-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one?
1-[3-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 412.49 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 110235628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).