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

C24H28N4O3 — CID 645375

IUPACN-(4-methoxyphenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCCC(c3nc(-c4ccc(C(C)C)cc4)no3)C2)cc1
InChIInChI=1S/C24H28N4O3/c1-16(2)17-6-8-18(9-7-17)22-26-23(31-27-22)19-5-4-14-28(15-19)24(29)25-20-10-12-21(30-3)13-11-20/h6-13,16,19H,4-5,14-15H2,1-3H3,(H,25,29)
InChIKeyFKEBCBMNYHEOPL-UHFFFAOYSA-N
MW420.51 g/mol
LogP5.28
Rot. Bonds5

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

N-(4-methoxyphenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide (PubChem CID 645375) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
PubChem CID645375
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-(4-methoxyphenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCCC(c3nc(-c4ccc(C(C)C)cc4)no3)C2)cc1
InChIInChI=1S/C24H28N4O3/c1-16(2)17-6-8-18(9-7-17)22-26-23(31-27-22)19-5-4-14-28(15-19)24(29)25-20-10-12-21(30-3)13-11-20/h6-13,16,19H,4-5,14-15H2,1-3H3,(H,25,29)
InChIKeyFKEBCBMNYHEOPL-UHFFFAOYSA-N
XLogP5.28
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide (CID 645375) is N-(4-methoxyphenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide is COc1ccc(NC(=O)N2CCCC(c3nc(-c4ccc(C(C)C)cc4)no3)C2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The InChIKey is FKEBCBMNYHEOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-16(2)17-6-8-18(9-7-17)22-26-23(31-27-22)19-5-4-14-28(15-19)24(29)25-20-10-12-21(30-3)13-11-20/h6-13,16,19H,4-5,14-15H2,1-3H3,(H,25,29).
What are the key properties of N-(4-methoxyphenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
N-(4-methoxyphenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 645375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).