5-[(3S)-1-(isoquinolin-6-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazol-2-amine

C17H19N5O — CID 164634075

IUPAC5-[(3S)-1-(isoquinolin-6-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc([C@H]2CCCN(Cc3ccc4cnccc4c3)C2)o1
InChIInChI=1S/C17H19N5O/c18-17-21-20-16(23-17)15-2-1-7-22(11-15)10-12-3-4-14-9-19-6-5-13(14)8-12/h3-6,8-9,15H,1-2,7,10-11H2,(H2,18,21)/t15-/m0/s1
InChIKeyYXADQABNIBYUFA-HNNXBMFYSA-N
MW309.37 g/mol
LogP2.58
Rot. Bonds3

About 5-[(3S)-1-(isoquinolin-6-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazol-2-amine

5-[(3S)-1-(isoquinolin-6-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazol-2-amine (PubChem CID 164634075) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 5-[(3S)-1-(isoquinolin-6-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(3S)-1-(isoquinolin-6-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazol-2-amine
PubChem CID164634075
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name5-[(3S)-1-(isoquinolin-6-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc([C@H]2CCCN(Cc3ccc4cnccc4c3)C2)o1
InChIInChI=1S/C17H19N5O/c18-17-21-20-16(23-17)15-2-1-7-22(11-15)10-12-3-4-14-9-19-6-5-13(14)8-12/h3-6,8-9,15H,1-2,7,10-11H2,(H2,18,21)/t15-/m0/s1
InChIKeyYXADQABNIBYUFA-HNNXBMFYSA-N
XLogP2.58
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3S)-1-benzylpiperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 95849713
1-[1-(isoquinolin-6-ylmethyl)pyrrolidin-3-yl]piperidin-4-amine
CID 167920936
(3S)-N-butyl-1-(isoquinolin-6-ylmethyl)pyrrolidin-3-amine
CID 58080820
5-[(3S)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazol-2-amine
CID 164641050
2-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 110243034
4-[[(3R)-3-pyridin-4-ylpiperidin-1-yl]methyl]pyridin-2-amine
CID 129345169
4-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 110258581
N-[(3R)-1-[(3,5-dichlorophenyl)methyl]piperidin-3-yl]isoquinolin-6-amine
CID 59290812
2-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrazine
CID 110256923
2-propyl-5-[(3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137575
2-[(3S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 51137330
tert-butyl N-[(3S)-1-(isoquinolin-6-ylmethyl)pyrrolidin-3-yl]-N-methylcarbamate
CID 58080852

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-1-(isoquinolin-6-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(3S)-1-(isoquinolin-6-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazol-2-amine (CID 164634075) is 5-[(3S)-1-(isoquinolin-6-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(3S)-1-(isoquinolin-6-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(3S)-1-(isoquinolin-6-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazol-2-amine is Nc1nnc([C@H]2CCCN(Cc3ccc4cnccc4c3)C2)o1.
What is the InChIKey of 5-[(3S)-1-(isoquinolin-6-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazol-2-amine?
The InChIKey is YXADQABNIBYUFA-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19N5O/c18-17-21-20-16(23-17)15-2-1-7-22(11-15)10-12-3-4-14-9-19-6-5-13(14)8-12/h3-6,8-9,15H,1-2,7,10-11H2,(H2,18,21)/t15-/m0/s1.
What are the key properties of 5-[(3S)-1-(isoquinolin-6-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazol-2-amine?
5-[(3S)-1-(isoquinolin-6-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazol-2-amine has a molecular weight of 309.37 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-1-(isoquinolin-6-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 164634075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).