1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide

C22H25N5O4 — CID 53030315

IUPAC1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCOc1ccc(-c2noc(N3CCC(C(=O)Nc4cccc(C)n4)CC3)n2)cc1OC
InChIInChI=1S/C22H25N5O4/c1-14-5-4-6-19(23-14)24-21(28)15-9-11-27(12-10-15)22-25-20(26-31-22)16-7-8-17(29-2)18(13-16)30-3/h4-8,13,15H,9-12H2,1-3H3,(H,23,24,28)
InChIKeyFADMNZYMOPBHHX-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.31
Rot. Bonds6

About 1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide

1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 53030315) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is 1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID53030315
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC Name1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCOc1ccc(-c2noc(N3CCC(C(=O)Nc4cccc(C)n4)CC3)n2)cc1OC
InChIInChI=1S/C22H25N5O4/c1-14-5-4-6-19(23-14)24-21(28)15-9-11-27(12-10-15)22-25-20(26-31-22)16-7-8-17(29-2)18(13-16)30-3/h4-8,13,15H,9-12H2,1-3H3,(H,23,24,28)
InChIKeyFADMNZYMOPBHHX-UHFFFAOYSA-N
XLogP3.31
TPSA102.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-4-carboxamide
CID 22334890
N-(3-chloro-4-methoxyphenyl)-1-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 53051297
N-(3,5-dimethylphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 22519659
[1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 53030318
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 46257727
N-(3,5-dimethoxyphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 46358363
N-cycloheptyl-1-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 53023440
N-(3-chlorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 22519523
3-(3,4-dimethoxyphenyl)-5-piperidin-1-yl-1,2,4-oxadiazole
CID 46276326
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55994634
N-(2-chlorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 22519629
N-(3-chloro-2-methylphenyl)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 20922943

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 53030315) is 1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide is COc1ccc(-c2noc(N3CCC(C(=O)Nc4cccc(C)n4)CC3)n2)cc1OC.
What is the InChIKey of 1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is FADMNZYMOPBHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4/c1-14-5-4-6-19(23-14)24-21(28)15-9-11-27(12-10-15)22-25-20(26-31-22)16-7-8-17(29-2)18(13-16)30-3/h4-8,13,15H,9-12H2,1-3H3,(H,23,24,28).
What are the key properties of 1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 423.47 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 53030315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).