N-[1-[4-[3-(3,4-dimethoxyphenyl)-2H-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide

C25H30N4O5 — CID 137425560

IUPACN-[1-[4-[3-(3,4-dimethoxyphenyl)-2H-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide
SMILESCOc1ccc(C2(C3CCN(C(=O)C(C)NC(=O)c4ccccc4)CC3)N=CON2)cc1OC
InChIInChI=1S/C25H30N4O5/c1-17(27-23(30)18-7-5-4-6-8-18)24(31)29-13-11-19(12-14-29)25(26-16-34-28-25)20-9-10-21(32-2)22(15-20)33-3/h4-10,15-17,19,28H,11-14H2,1-3H3,(H,27,30)
InChIKeyUMAGBEGILNWRFT-UHFFFAOYSA-N
MW466.54 g/mol
LogP2.48
Rot. Bonds7

About N-[1-[4-[3-(3,4-dimethoxyphenyl)-2H-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide

N-[1-[4-[3-(3,4-dimethoxyphenyl)-2H-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide (PubChem CID 137425560) has the molecular formula C25H30N4O5 and a molecular weight of 466.54 g/mol. Its IUPAC name is N-[1-[4-[3-(3,4-dimethoxyphenyl)-2H-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[4-[3-(3,4-dimethoxyphenyl)-2H-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide
PubChem CID137425560
Molecular FormulaC25H30N4O5
Molecular Weight466.54 g/mol
Exact Mass466.22
IUPAC NameN-[1-[4-[3-(3,4-dimethoxyphenyl)-2H-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide
SMILESCOc1ccc(C2(C3CCN(C(=O)C(C)NC(=O)c4ccccc4)CC3)N=CON2)cc1OC
InChIInChI=1S/C25H30N4O5/c1-17(27-23(30)18-7-5-4-6-8-18)24(31)29-13-11-19(12-14-29)25(26-16-34-28-25)20-9-10-21(32-2)22(15-20)33-3/h4-10,15-17,19,28H,11-14H2,1-3H3,(H,27,30)
InChIKeyUMAGBEGILNWRFT-UHFFFAOYSA-N
XLogP2.48
TPSA101.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 134477579
2-benzamidopropanoic acid;N-[1-[4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide;3-(3,4-dimethoxyphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 162141329
N-[1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 66291291
N-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 2558168
N-[1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 55590117
N-[(2R)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]benzamide
CID 94035900
3-hydroxy-4-methoxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 115674973
(2S)-1-[(2S)-2-benzamidopropanoyl]pyrrolidine-2-carboxamide
CID 169260137
N-[1-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 62370951
N-[1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzamide
CID 80702651
3,4-dimethoxy-N-[(2R)-1-oxo-1-[4-[2-(pyridin-3-ylcarbamoyl)phenyl]piperazin-1-yl]propan-2-yl]benzamide
CID 59548832
N-[(2R)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-1-oxobutan-2-yl]benzamide
CID 7096893

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[3-(3,4-dimethoxyphenyl)-2H-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide?
The IUPAC name of N-[1-[4-[3-(3,4-dimethoxyphenyl)-2H-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide (CID 137425560) is N-[1-[4-[3-(3,4-dimethoxyphenyl)-2H-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for N-[1-[4-[3-(3,4-dimethoxyphenyl)-2H-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for N-[1-[4-[3-(3,4-dimethoxyphenyl)-2H-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide is COc1ccc(C2(C3CCN(C(=O)C(C)NC(=O)c4ccccc4)CC3)N=CON2)cc1OC.
What is the InChIKey of N-[1-[4-[3-(3,4-dimethoxyphenyl)-2H-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide?
The InChIKey is UMAGBEGILNWRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O5/c1-17(27-23(30)18-7-5-4-6-8-18)24(31)29-13-11-19(12-14-29)25(26-16-34-28-25)20-9-10-21(32-2)22(15-20)33-3/h4-10,15-17,19,28H,11-14H2,1-3H3,(H,27,30).
What are the key properties of N-[1-[4-[3-(3,4-dimethoxyphenyl)-2H-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide?
N-[1-[4-[3-(3,4-dimethoxyphenyl)-2H-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide has a molecular weight of 466.54 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[3-(3,4-dimethoxyphenyl)-2H-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 137425560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).