1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenoxyphenyl)piperidine-3-carboxamide

C28H28N4O4 — CID 43930915

IUPAC1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenoxyphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(-c2noc(CN3CCCC(C(=O)Nc4ccccc4Oc4ccccc4)C3)n2)cc1
InChIInChI=1S/C28H28N4O4/c1-34-22-15-13-20(14-16-22)27-30-26(36-31-27)19-32-17-7-8-21(18-32)28(33)29-24-11-5-6-12-25(24)35-23-9-3-2-4-10-23/h2-6,9-16,21H,7-8,17-19H2,1H3,(H,29,33)
InChIKeyJJCMVRPRVMOMFW-UHFFFAOYSA-N
MW484.56 g/mol
LogP5.39
Rot. Bonds8

About 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenoxyphenyl)piperidine-3-carboxamide

1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenoxyphenyl)piperidine-3-carboxamide (PubChem CID 43930915) has the molecular formula C28H28N4O4 and a molecular weight of 484.56 g/mol. Its IUPAC name is 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenoxyphenyl)piperidine-3-carboxamide
PubChem CID43930915
Molecular FormulaC28H28N4O4
Molecular Weight484.56 g/mol
Exact Mass484.21
IUPAC Name1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenoxyphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(-c2noc(CN3CCCC(C(=O)Nc4ccccc4Oc4ccccc4)C3)n2)cc1
InChIInChI=1S/C28H28N4O4/c1-34-22-15-13-20(14-16-22)27-30-26(36-31-27)19-32-17-7-8-21(18-32)28(33)29-24-11-5-6-12-25(24)35-23-9-3-2-4-10-23/h2-6,9-16,21H,7-8,17-19H2,1H3,(H,29,33)
InChIKeyJJCMVRPRVMOMFW-UHFFFAOYSA-N
XLogP5.39
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.56
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenoxyphenyl)piperidine-3-carboxamide
CID 43930491
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenoxyphenyl)piperidine-3-carboxamide
CID 43930067
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenoxyphenyl)piperidine-3-carboxamide
CID 43929643
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43933605
N-(5-chloro-2-phenoxyphenyl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930469
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[5-chloro-2-(4-methoxyphenoxy)phenyl]piperidine-3-carboxamide
CID 43933182
N-(2,6-diethylphenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930862
N-(4-fluorophenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930801
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-phenoxyphenyl)piperidine-3-carboxamide
CID 43931975
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-phenoxyphenyl)piperidine-3-carboxamide
CID 43933246
N-(2,5-dimethoxyphenyl)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43931166
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 43927418

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenoxyphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenoxyphenyl)piperidine-3-carboxamide (CID 43930915) is 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenoxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenoxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenoxyphenyl)piperidine-3-carboxamide is COc1ccc(-c2noc(CN3CCCC(C(=O)Nc4ccccc4Oc4ccccc4)C3)n2)cc1.
What is the InChIKey of 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenoxyphenyl)piperidine-3-carboxamide?
The InChIKey is JJCMVRPRVMOMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O4/c1-34-22-15-13-20(14-16-22)27-30-26(36-31-27)19-32-17-7-8-21(18-32)28(33)29-24-11-5-6-12-25(24)35-23-9-3-2-4-10-23/h2-6,9-16,21H,7-8,17-19H2,1H3,(H,29,33).
What are the key properties of 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenoxyphenyl)piperidine-3-carboxamide?
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenoxyphenyl)piperidine-3-carboxamide has a molecular weight of 484.56 g/mol, XLogP of 5.39, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 43930915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).