3-methyl-5-[1-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole

C18H24N4O — CID 138052921

IUPAC3-methyl-5-[1-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole
SMILESCc1noc(C2CCCN(Cc3nccc4c3CCCC4)C2)n1
InChIInChI=1S/C18H24N4O/c1-13-20-18(23-21-13)15-6-4-10-22(11-15)12-17-16-7-3-2-5-14(16)8-9-19-17/h8-9,15H,2-7,10-12H2,1H3
InChIKeyCOSCOQKLRXAQCU-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.03
Rot. Bonds3

About 3-methyl-5-[1-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole

3-methyl-5-[1-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole (PubChem CID 138052921) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 3-methyl-5-[1-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[1-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole
PubChem CID138052921
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name3-methyl-5-[1-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole
SMILESCc1noc(C2CCCN(Cc3nccc4c3CCCC4)C2)n1
InChIInChI=1S/C18H24N4O/c1-13-20-18(23-21-13)15-6-4-10-22(11-15)12-17-16-7-3-2-5-14(16)8-9-19-17/h8-9,15H,2-7,10-12H2,1H3
InChIKeyCOSCOQKLRXAQCU-UHFFFAOYSA-N
XLogP3.03
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-methyl-5-[1-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole with MolForge

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Related Compounds

2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)morpholine
CID 138052975
3-methyl-5-[1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 122152728
5-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 60565067
5-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 94207638
5-[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 126766182
5-[1-[2-(4-chlorophenoxy)ethyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 60525893
2-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 95130318
1-[(4-methylsulfonylpiperidin-1-yl)methyl]-5,6,7,8-tetrahydroisoquinoline
CID 138053037
5-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 87023145
2-(2,3-dihydro-1H-inden-5-yl)-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 94526775
5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-3-phenyl-1,2,4-oxadiazole
CID 50973299
5-[(3R)-1-[(2-bromo-3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 97009022

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[1-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[1-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole (CID 138052921) is 3-methyl-5-[1-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[1-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[1-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole is Cc1noc(C2CCCN(Cc3nccc4c3CCCC4)C2)n1.
What is the InChIKey of 3-methyl-5-[1-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is COSCOQKLRXAQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-13-20-18(23-21-13)15-6-4-10-22(11-15)12-17-16-7-3-2-5-14(16)8-9-19-17/h8-9,15H,2-7,10-12H2,1H3.
What are the key properties of 3-methyl-5-[1-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole?
3-methyl-5-[1-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 312.42 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[1-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 138052921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).