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

C22H24N4O3 — CID 50768304

IUPACN-(3-methoxyphenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCC(c3nc(-c4ccc(C)cc4)no3)CC2)c1
InChIInChI=1S/C22H24N4O3/c1-15-6-8-16(9-7-15)20-24-21(29-25-20)17-10-12-26(13-11-17)22(27)23-18-4-3-5-19(14-18)28-2/h3-9,14,17H,10-13H2,1-2H3,(H,23,27)
InChIKeyYYSDBXHEWRJRSF-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.47
Rot. Bonds4

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

N-(3-methoxyphenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide (PubChem CID 50768304) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
PubChem CID50768304
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-(3-methoxyphenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCC(c3nc(-c4ccc(C)cc4)no3)CC2)c1
InChIInChI=1S/C22H24N4O3/c1-15-6-8-16(9-7-15)20-24-21(29-25-20)17-10-12-26(13-11-17)22(27)23-18-4-3-5-19(14-18)28-2/h3-9,14,17H,10-13H2,1-2H3,(H,23,27)
InChIKeyYYSDBXHEWRJRSF-UHFFFAOYSA-N
XLogP4.47
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide (CID 50768304) is N-(3-methoxyphenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide is COc1cccc(NC(=O)N2CCC(c3nc(-c4ccc(C)cc4)no3)CC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The InChIKey is YYSDBXHEWRJRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15-6-8-16(9-7-15)20-24-21(29-25-20)17-10-12-26(13-11-17)22(27)23-18-4-3-5-19(14-18)28-2/h3-9,14,17H,10-13H2,1-2H3,(H,23,27).
What are the key properties of N-(3-methoxyphenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
N-(3-methoxyphenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 50768304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).