1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-N-phenylpiperidine-4-carboxamide

C24H28N4O4 — CID 38150730

IUPAC1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-N-phenylpiperidine-4-carboxamide
SMILESCOc1ccc(-c2noc(CN3CCC(C(=O)N(C)c4ccccc4)CC3)n2)cc1OC
InChIInChI=1S/C24H28N4O4/c1-27(19-7-5-4-6-8-19)24(29)17-11-13-28(14-12-17)16-22-25-23(26-32-22)18-9-10-20(30-2)21(15-18)31-3/h4-10,15,17H,11-14,16H2,1-3H3
InChIKeyXEFWKGBBZIZWOZ-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.63
Rot. Bonds7

About 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-N-phenylpiperidine-4-carboxamide

1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-N-phenylpiperidine-4-carboxamide (PubChem CID 38150730) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-N-phenylpiperidine-4-carboxamide
PubChem CID38150730
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-N-phenylpiperidine-4-carboxamide
SMILESCOc1ccc(-c2noc(CN3CCC(C(=O)N(C)c4ccccc4)CC3)n2)cc1OC
InChIInChI=1S/C24H28N4O4/c1-27(19-7-5-4-6-8-19)24(29)17-11-13-28(14-12-17)16-22-25-23(26-32-22)18-9-10-20(30-2)21(15-18)31-3/h4-10,15,17H,11-14,16H2,1-3H3
InChIKeyXEFWKGBBZIZWOZ-UHFFFAOYSA-N
XLogP3.63
TPSA80.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-phenylpiperidine-4-carboxamide
CID 38142571
[1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 42541245
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylphenyl)-N-propylpiperidine-4-carboxamide
CID 20922872
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55994634
N-[(3,4-dimethoxyphenyl)methyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 38150104
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38143493
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-N-phenylpiperidine-3-carboxamide
CID 43930983
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(dimethylamino)propyl]piperidine-4-carboxamide
CID 38150611
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol
CID 26518855
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 20922898
N-(3,4-dimethoxyphenyl)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 20922837
1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-N-phenylpiperidine-4-carboxamide
CID 43928451

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-N-phenylpiperidine-4-carboxamide (CID 38150730) is 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-N-phenylpiperidine-4-carboxamide is COc1ccc(-c2noc(CN3CCC(C(=O)N(C)c4ccccc4)CC3)n2)cc1OC.
What is the InChIKey of 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-N-phenylpiperidine-4-carboxamide?
The InChIKey is XEFWKGBBZIZWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-27(19-7-5-4-6-8-19)24(29)17-11-13-28(14-12-17)16-22-25-23(26-32-22)18-9-10-20(30-2)21(15-18)31-3/h4-10,15,17H,11-14,16H2,1-3H3.
What are the key properties of 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-N-phenylpiperidine-4-carboxamide?
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-N-phenylpiperidine-4-carboxamide has a molecular weight of 436.51 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 38150730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).