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

C50H58N8O11 — CID 162141329

IUPAC2-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
SMILESCC(NC(=O)c1ccccc1)C(=O)O.COc1ccc(-c2noc(C3CCN(C(=O)C(C)NC(=O)c4ccccc4)CC3)n2)cc1OC.COc1ccc(-c2noc(C3CCNCC3)n2)cc1OC
InChIInChI=1S/C25H28N4O5.C15H19N3O3.C10H11NO3/c1-16(26-23(30)17-7-5-4-6-8-17)25(31)29-13-11-18(12-14-29)24-27-22(28-34-24)19-9-10-20(32-2)21(15-19)33-3;1-19-12-4-3-11(9-13(12)20-2)14-17-15(21-18-14)10-5-7-16-8-6-10;1-7(10(13)14)11-9(12)8-5-3-2-4-6-8/h4-10,15-16,18H,11-14H2,1-3H3,(H,26,30);3-4,9-10,16H,5-8H2,1-2H3;2-7H,1H3,(H,11,12)(H,13,14)
InChIKeyZJYRRZRVNZFFBD-UHFFFAOYSA-N
MW947.06 g/mol
LogP6.39
Rot. Bonds14

About 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

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 (PubChem CID 162141329) has the molecular formula C50H58N8O11 and a molecular weight of 947.06 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID162141329
Molecular FormulaC50H58N8O11
Molecular Weight947.06 g/mol
Exact Mass946.42
IUPAC Name2-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
SMILESCC(NC(=O)c1ccccc1)C(=O)O.COc1ccc(-c2noc(C3CCN(C(=O)C(C)NC(=O)c4ccccc4)CC3)n2)cc1OC.COc1ccc(-c2noc(C3CCNCC3)n2)cc1OC
InChIInChI=1S/C25H28N4O5.C15H19N3O3.C10H11NO3/c1-16(26-23(30)17-7-5-4-6-8-17)25(31)29-13-11-18(12-14-29)24-27-22(28-34-24)19-9-10-20(32-2)21(15-19)33-3;1-19-12-4-3-11(9-13(12)20-2)14-17-15(21-18-14)10-5-7-16-8-6-10;1-7(10(13)14)11-9(12)8-5-3-2-4-6-8/h4-10,15-16,18H,11-14H2,1-3H3,(H,26,30);3-4,9-10,16H,5-8H2,1-2H3;2-7H,1H3,(H,11,12)(H,13,14)
InChIKeyZJYRRZRVNZFFBD-UHFFFAOYSA-N
XLogP6.39
TPSA242.60 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds14
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500947.06
LogP ≤ 56.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze 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 with MolForge

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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
(2R)-2-cyclopropyl-1-[4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-4-phenylbutane-1,4-dione
CID 148630812
2-[(2S)-1-[4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 140885832
1-[4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-4-phenylbutane-1,4-dione
CID 146948181
1-[4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one
CID 134478036
5-[1-(benzenesulfonyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 27444747
3-(4-fluoro-3-methoxyphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 82626483
N-[1-[4-[3-(3,4-dimethoxyphenyl)-2H-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 137425560
N-[1-[4-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]benzamide
CID 155071931
[4-[4-[4-[3-(3-cyclopentyloxy-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]phenyl]phenyl]-[4-[3-(3-cyclopentyloxy-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 59651080
1-[(3R)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-ethylbutan-1-one
CID 1456447
N-[2-[4-[3-(1,4-dimethylphthalazin-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide
CID 134478084

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(NC(=O)c1ccccc1)C(=O)O.COc1ccc(-c2noc(C3CCN(C(=O)C(C)NC(=O)c4ccccc4)CC3)n2)cc1OC.COc1ccc(-c2noc(C3CCNCC3)n2)cc1OC.
What is the InChIKey of 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?
The InChIKey is ZJYRRZRVNZFFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O5.C15H19N3O3.C10H11NO3/c1-16(26-23(30)17-7-5-4-6-8-17)25(31)29-13-11-18(12-14-29)24-27-22(28-34-24)19-9-10-20(32-2)21(15-19)33-3;1-19-12-4-3-11(9-13(12)20-2)14-17-15(21-18-14)10-5-7-16-8-6-10;1-7(10(13)14)11-9(12)8-5-3-2-4-6-8/h4-10,15-16,18H,11-14H2,1-3H3,(H,26,30);3-4,9-10,16H,5-8H2,1-2H3;2-7H,1H3,(H,11,12)(H,13,14).
What are the key properties of 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?
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 has a molecular weight of 947.06 g/mol, XLogP of 6.39, 14 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162141329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).