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

C23H24N4O4 — CID 20904896

IUPACN-(3-acetylphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
SMILESCOc1ccc(-c2noc(N3CCCC(C(=O)Nc4cccc(C(C)=O)c4)C3)n2)cc1
InChIInChI=1S/C23H24N4O4/c1-15(28)17-5-3-7-19(13-17)24-22(29)18-6-4-12-27(14-18)23-25-21(26-31-23)16-8-10-20(30-2)11-9-16/h3,5,7-11,13,18H,4,6,12,14H2,1-2H3,(H,24,29)
InChIKeyQGQMPNXYOMESFQ-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.80
Rot. Bonds6

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

N-(3-acetylphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide (PubChem CID 20904896) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-(3-acetylphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
PubChem CID20904896
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC NameN-(3-acetylphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
SMILESCOc1ccc(-c2noc(N3CCCC(C(=O)Nc4cccc(C(C)=O)c4)C3)n2)cc1
InChIInChI=1S/C23H24N4O4/c1-15(28)17-5-3-7-19(13-17)24-22(29)18-6-4-12-27(14-18)23-25-21(26-31-23)16-8-10-20(30-2)11-9-16/h3,5,7-11,13,18H,4,6,12,14H2,1-2H3,(H,24,29)
InChIKeyQGQMPNXYOMESFQ-UHFFFAOYSA-N
XLogP3.80
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-dimethylphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
CID 20873273
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-sulfamoylphenyl)piperidine-3-carboxamide
CID 20904893
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-3-carboxamide
CID 126459659
N-(3-chlorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 22519523
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylcyclohexyl)piperidine-3-carboxamide
CID 20904897
methyl (3S)-1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxylate
CID 133326662
N-[(2-chlorophenyl)methyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
CID 20904891
N-(3,5-dimethoxyphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 46358363
(3S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 93077075
N-[2-(2,4-dimethoxyphenyl)ethyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
CID 20904909
N-(3,5-dimethylphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 22519659
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 46257727

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide (CID 20904896) is N-(3-acetylphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide is COc1ccc(-c2noc(N3CCCC(C(=O)Nc4cccc(C(C)=O)c4)C3)n2)cc1.
What is the InChIKey of N-(3-acetylphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide?
The InChIKey is QGQMPNXYOMESFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-15(28)17-5-3-7-19(13-17)24-22(29)18-6-4-12-27(14-18)23-25-21(26-31-23)16-8-10-20(30-2)11-9-16/h3,5,7-11,13,18H,4,6,12,14H2,1-2H3,(H,24,29).
What are the key properties of N-(3-acetylphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide?
N-(3-acetylphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide is sourced from PubChem (CID 20904896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).