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

C23H24N4O4 — CID 20904885

IUPACN-(4-acetylphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
SMILESCOc1ccc(-c2noc(N3CCCC(C(=O)Nc4ccc(C(C)=O)cc4)C3)n2)cc1
InChIInChI=1S/C23H24N4O4/c1-15(28)16-5-9-19(10-6-16)24-22(29)18-4-3-13-27(14-18)23-25-21(26-31-23)17-7-11-20(30-2)12-8-17/h5-12,18H,3-4,13-14H2,1-2H3,(H,24,29)
InChIKeyCVYNLEQGLILCTR-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.80
Rot. Bonds6

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

N-(4-acetylphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide (PubChem CID 20904885) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-(4-acetylphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
PubChem CID20904885
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC NameN-(4-acetylphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
SMILESCOc1ccc(-c2noc(N3CCCC(C(=O)Nc4ccc(C(C)=O)cc4)C3)n2)cc1
InChIInChI=1S/C23H24N4O4/c1-15(28)16-5-9-19(10-6-16)24-22(29)18-4-3-13-27(14-18)23-25-21(26-31-23)17-7-11-20(30-2)12-8-17/h5-12,18H,3-4,13-14H2,1-2H3,(H,24,29)
InChIKeyCVYNLEQGLILCTR-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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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide (CID 20904885) is N-(4-acetylphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide is COc1ccc(-c2noc(N3CCCC(C(=O)Nc4ccc(C(C)=O)cc4)C3)n2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide?
The InChIKey is CVYNLEQGLILCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-15(28)16-5-9-19(10-6-16)24-22(29)18-4-3-13-27(14-18)23-25-21(26-31-23)17-7-11-20(30-2)12-8-17/h5-12,18H,3-4,13-14H2,1-2H3,(H,24,29).
What are the key properties of N-(4-acetylphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide?
N-(4-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-(4-acetylphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide is sourced from PubChem (CID 20904885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).