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

C20H20N4O2 — CID 95110708

IUPAC[(2R)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-isoquinolin-1-ylmethanone
SMILESO=C(c1nccc2ccccc12)N1CCCC[C@@H]1c1nc(C2CC2)no1
InChIInChI=1S/C20H20N4O2/c25-20(17-15-6-2-1-5-13(15)10-11-21-17)24-12-4-3-7-16(24)19-22-18(23-26-19)14-8-9-14/h1-2,5-6,10-11,14,16H,3-4,7-9,12H2/t16-/m1/s1
InChIKeyYCHLWJGOYHXDPU-MRXNPFEDSA-N
MW348.41 g/mol
LogP3.86
Rot. Bonds3

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

[(2R)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-isoquinolin-1-ylmethanone (PubChem CID 95110708) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is [(2R)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-isoquinolin-1-ylmethanone.

Molecular Properties

Compound Name[(2R)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-isoquinolin-1-ylmethanone
PubChem CID95110708
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name[(2R)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-isoquinolin-1-ylmethanone
SMILESO=C(c1nccc2ccccc12)N1CCCC[C@@H]1c1nc(C2CC2)no1
InChIInChI=1S/C20H20N4O2/c25-20(17-15-6-2-1-5-13(15)10-11-21-17)24-12-4-3-7-16(24)19-22-18(23-26-19)14-8-9-14/h1-2,5-6,10-11,14,16H,3-4,7-9,12H2/t16-/m1/s1
InChIKeyYCHLWJGOYHXDPU-MRXNPFEDSA-N
XLogP3.86
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-quinolin-2-ylmethanone
CID 95110711
[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(furan-3-yl)methanone
CID 95110723
1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-naphthalen-1-ylethanone
CID 90564564
[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-naphthalen-2-ylmethanone
CID 90564532
[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-isoquinolin-1-ylmethanone
CID 124954942
[2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-isoquinolin-1-ylmethanone
CID 110120604
benzyl (2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxylate
CID 66855550
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylethyl)piperidine-1-carboxamide
CID 53338100
1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 90564568
[2-(bromomethyl)azepan-1-yl]-isoquinolin-1-ylmethanone
CID 116639380
1,3-benzothiazol-2-yl-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 90564620
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 53338102

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-isoquinolin-1-ylmethanone?
The IUPAC name of [(2R)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-isoquinolin-1-ylmethanone (CID 95110708) is [(2R)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-isoquinolin-1-ylmethanone.
What is the SMILES notation for [(2R)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-isoquinolin-1-ylmethanone?
The canonical SMILES for [(2R)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-isoquinolin-1-ylmethanone is O=C(c1nccc2ccccc12)N1CCCC[C@@H]1c1nc(C2CC2)no1.
What is the InChIKey of [(2R)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-isoquinolin-1-ylmethanone?
The InChIKey is YCHLWJGOYHXDPU-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-20(17-15-6-2-1-5-13(15)10-11-21-17)24-12-4-3-7-16(24)19-22-18(23-26-19)14-8-9-14/h1-2,5-6,10-11,14,16H,3-4,7-9,12H2/t16-/m1/s1.
What are the key properties of [(2R)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-isoquinolin-1-ylmethanone?
[(2R)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-isoquinolin-1-ylmethanone has a molecular weight of 348.41 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-isoquinolin-1-ylmethanone is sourced from PubChem (CID 95110708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).