(3,5-dimethoxyphenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone

C19H22N6O4 — CID 91919255

IUPAC(3,5-dimethoxyphenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCCC(n3cc(-c4nc(C)no4)nn3)C2)c1
InChIInChI=1S/C19H22N6O4/c1-12-20-18(29-22-12)17-11-25(23-21-17)14-5-4-6-24(10-14)19(26)13-7-15(27-2)9-16(8-13)28-3/h7-9,11,14H,4-6,10H2,1-3H3
InChIKeyGPUATSBTODZVDP-UHFFFAOYSA-N
MW398.42 g/mol
LogP2.13
Rot. Bonds5

About (3,5-dimethoxyphenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone

(3,5-dimethoxyphenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone (PubChem CID 91919255) has the molecular formula C19H22N6O4 and a molecular weight of 398.42 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
PubChem CID91919255
Molecular FormulaC19H22N6O4
Molecular Weight398.42 g/mol
Exact Mass398.17
IUPAC Name(3,5-dimethoxyphenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCCC(n3cc(-c4nc(C)no4)nn3)C2)c1
InChIInChI=1S/C19H22N6O4/c1-12-20-18(29-22-12)17-11-25(23-21-17)14-5-4-6-24(10-14)19(26)13-7-15(27-2)9-16(8-13)28-3/h7-9,11,14H,4-6,10H2,1-3H3
InChIKeyGPUATSBTODZVDP-UHFFFAOYSA-N
XLogP2.13
TPSA108.40 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

(3,4-difluorophenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 91908522
[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 91908519
(4-tert-butylphenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 91908512
(4-methoxyphenyl)-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 91908548
[4-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 91891985
(3,5-dimethylphenyl)-[(3R)-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 99757419
(3-methoxyphenyl)-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone
CID 91892206
N-[3-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidine-1-carbonyl]phenyl]acetamide
CID 91892133
[3-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 91892242
(4-methoxyphenyl)-[(3S)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone
CID 99757698
(2,4-dimethylphenyl)-[(3R)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone
CID 99757441
(5-chloro-2-fluorophenyl)-[(3S)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone
CID 99757450

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (3,5-dimethoxyphenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone (CID 91919255) is (3,5-dimethoxyphenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethoxyphenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (3,5-dimethoxyphenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone is COc1cc(OC)cc(C(=O)N2CCCC(n3cc(-c4nc(C)no4)nn3)C2)c1.
What is the InChIKey of (3,5-dimethoxyphenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone?
The InChIKey is GPUATSBTODZVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O4/c1-12-20-18(29-22-12)17-11-25(23-21-17)14-5-4-6-24(10-14)19(26)13-7-15(27-2)9-16(8-13)28-3/h7-9,11,14H,4-6,10H2,1-3H3.
What are the key properties of (3,5-dimethoxyphenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone?
(3,5-dimethoxyphenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone has a molecular weight of 398.42 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 91919255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).