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

C21H24N6O4 — CID 91891985

IUPAC[4-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCC(n3cc(-c4nc(C5CC5)no4)nn3)CC2)c1
InChIInChI=1S/C21H24N6O4/c1-29-16-9-14(10-17(11-16)30-2)21(28)26-7-5-15(6-8-26)27-12-18(23-25-27)20-22-19(24-31-20)13-3-4-13/h9-13,15H,3-8H2,1-2H3
InChIKeySIKMUXZFNXQMRU-UHFFFAOYSA-N
MW424.46 g/mol
LogP2.70
Rot. Bonds6

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

[4-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone (PubChem CID 91891985) has the molecular formula C21H24N6O4 and a molecular weight of 424.46 g/mol. Its IUPAC name is [4-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone
PubChem CID91891985
Molecular FormulaC21H24N6O4
Molecular Weight424.46 g/mol
Exact Mass424.19
IUPAC Name[4-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCC(n3cc(-c4nc(C5CC5)no4)nn3)CC2)c1
InChIInChI=1S/C21H24N6O4/c1-29-16-9-14(10-17(11-16)30-2)21(28)26-7-5-15(6-8-26)27-12-18(23-25-27)20-22-19(24-31-20)13-3-4-13/h9-13,15H,3-8H2,1-2H3
InChIKeySIKMUXZFNXQMRU-UHFFFAOYSA-N
XLogP2.70
TPSA108.40 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze [4-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,5-dimethoxyphenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 91919255
[(3S)-3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 99757762
(3-methoxyphenyl)-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone
CID 91892206
[3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 91892320
(4-methoxy-2-methylphenyl)-[4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 91892032
(4-methoxyphenyl)-[(3S)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone
CID 99757698
[3-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 91892242
[(3R)-3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(2,5-difluorophenyl)methanone
CID 99757731
(3-fluorophenyl)-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 91891786
[(3R)-3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(2-fluorophenyl)methanone
CID 99757755
1-[(3S)-3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 99757740
(4-methoxy-2-methylphenyl)-[4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 91891877

Frequently Asked Questions

What is the IUPAC name of [4-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone?
The IUPAC name of [4-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone (CID 91891985) is [4-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone.
What is the SMILES notation for [4-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone?
The canonical SMILES for [4-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone is COc1cc(OC)cc(C(=O)N2CCC(n3cc(-c4nc(C5CC5)no4)nn3)CC2)c1.
What is the InChIKey of [4-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone?
The InChIKey is SIKMUXZFNXQMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O4/c1-29-16-9-14(10-17(11-16)30-2)21(28)26-7-5-15(6-8-26)27-12-18(23-25-27)20-22-19(24-31-20)13-3-4-13/h9-13,15H,3-8H2,1-2H3.
What are the key properties of [4-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone?
[4-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone has a molecular weight of 424.46 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone is sourced from PubChem (CID 91891985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).