5-[(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methyl]-1,2,4-oxadiazole-3-carboxamide

C19H24N4O5 — CID 163312018

IUPAC5-[(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCOc1cc2c(cc1OC)C1(CCN(Cc3nc(C(N)=O)no3)CC1)OCC2
InChIInChI=1S/C19H24N4O5/c1-25-14-9-12-3-8-27-19(13(12)10-15(14)26-2)4-6-23(7-5-19)11-16-21-18(17(20)24)22-28-16/h9-10H,3-8,11H2,1-2H3,(H2,20,24)
InChIKeyLBPYQLISRFVVMZ-UHFFFAOYSA-N
MW388.42 g/mol
LogP1.25
Rot. Bonds5

About 5-[(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methyl]-1,2,4-oxadiazole-3-carboxamide

5-[(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 163312018) has the molecular formula C19H24N4O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is 5-[(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID163312018
Molecular FormulaC19H24N4O5
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC Name5-[(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCOc1cc2c(cc1OC)C1(CCN(Cc3nc(C(N)=O)no3)CC1)OCC2
InChIInChI=1S/C19H24N4O5/c1-25-14-9-12-3-8-27-19(13(12)10-15(14)26-2)4-6-23(7-5-19)11-16-21-18(17(20)24)22-28-16/h9-10H,3-8,11H2,1-2H3,(H2,20,24)
InChIKeyLBPYQLISRFVVMZ-UHFFFAOYSA-N
XLogP1.25
TPSA112.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)ethanone
CID 135109735
1'-[(2,3-dimethylimidazol-4-yl)methyl]-6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]
CID 163312225
3-amino-1-(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)propan-1-one
CID 135102999
1-(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-3-methoxypropan-1-one
CID 135102642
4-amino-1-(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)butan-1-one;hydrochloride
CID 154918512
6,7-dimethoxy-1'-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine]
CID 163308080
1-(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-2-methoxy-2-methylpropan-1-one
CID 135100633
1'-(1,4-dioxepan-6-ylmethyl)-6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]
CID 163309707
1-(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-4-pyrrolidin-1-ylbutan-1-one
CID 135119086
1-[2-(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-4-methylpyrimidin-5-yl]ethanone
CID 163307960
(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-(5-methylpyrazin-2-yl)methanone
CID 135092114
1-(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-2-[ethyl(methyl)amino]butan-1-one
CID 135116900

Frequently Asked Questions

What is the IUPAC name of 5-[(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methyl]-1,2,4-oxadiazole-3-carboxamide (CID 163312018) is 5-[(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methyl]-1,2,4-oxadiazole-3-carboxamide is COc1cc2c(cc1OC)C1(CCN(Cc3nc(C(N)=O)no3)CC1)OCC2.
What is the InChIKey of 5-[(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is LBPYQLISRFVVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5/c1-25-14-9-12-3-8-27-19(13(12)10-15(14)26-2)4-6-23(7-5-19)11-16-21-18(17(20)24)22-28-16/h9-10H,3-8,11H2,1-2H3,(H2,20,24).
What are the key properties of 5-[(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methyl]-1,2,4-oxadiazole-3-carboxamide?
5-[(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 388.42 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 163312018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).