3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-N-(4-methoxyphenyl)propanamide

C21H28N4O4 — CID 128973547

IUPAC3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCN2CCC(OC)(c3nc(C4CC4)no3)CC2)cc1
InChIInChI=1S/C21H28N4O4/c1-27-17-7-5-16(6-8-17)22-18(26)9-12-25-13-10-21(28-2,11-14-25)20-23-19(24-29-20)15-3-4-15/h5-8,15H,3-4,9-14H2,1-2H3,(H,22,26)
InChIKeyOVJBVZWZYUQFJN-UHFFFAOYSA-N
MW400.48 g/mol
LogP2.92
Rot. Bonds8

About 3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-N-(4-methoxyphenyl)propanamide

3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-N-(4-methoxyphenyl)propanamide (PubChem CID 128973547) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is 3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-N-(4-methoxyphenyl)propanamide
PubChem CID128973547
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC Name3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCN2CCC(OC)(c3nc(C4CC4)no3)CC2)cc1
InChIInChI=1S/C21H28N4O4/c1-27-17-7-5-16(6-8-17)22-18(26)9-12-25-13-10-21(28-2,11-14-25)20-23-19(24-29-20)15-3-4-15/h5-8,15H,3-4,9-14H2,1-2H3,(H,22,26)
InChIKeyOVJBVZWZYUQFJN-UHFFFAOYSA-N
XLogP2.92
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methoxyphenyl)propanamide
CID 109028531
N-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide;oxalic acid
CID 171154568
[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-(3,5-difluorophenyl)methanone
CID 128973649
N-[4-(dimethylamino)phenyl]-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109033786
2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,5-dimethylpyrrol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 53155544
N-(4-methoxyphenyl)-3-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]propanamide
CID 98722548
N-(4-aminophenyl)-3-(4,4-dimethylpiperidin-1-yl)propanamide
CID 62937712
(2S)-1-[3-(4-methoxyanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid
CID 119910408
2-(4-hydroxy-4-methylpiperidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 80702513
3-(2-ethylpiperidin-1-yl)-N-(4-methoxyphenyl)propanamide
CID 109032752
2-cyclopropyl-N-(4-methoxyphenyl)acetamide
CID 3008382
N-(2,4-dimethoxyphenyl)-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide
CID 91839507

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-N-(4-methoxyphenyl)propanamide (CID 128973547) is 3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)CCN2CCC(OC)(c3nc(C4CC4)no3)CC2)cc1.
What is the InChIKey of 3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-N-(4-methoxyphenyl)propanamide?
The InChIKey is OVJBVZWZYUQFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4/c1-27-17-7-5-16(6-8-17)22-18(26)9-12-25-13-10-21(28-2,11-14-25)20-23-19(24-29-20)15-3-4-15/h5-8,15H,3-4,9-14H2,1-2H3,(H,22,26).
What are the key properties of 3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-N-(4-methoxyphenyl)propanamide?
3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-N-(4-methoxyphenyl)propanamide has a molecular weight of 400.48 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 128973547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).