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

C23H26N4O4 — CID 24793707

IUPACN-(2-ethoxyphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)C1CCN(c2nc(-c3ccc(OC)cc3)no2)CC1
InChIInChI=1S/C23H26N4O4/c1-3-30-20-7-5-4-6-19(20)24-22(28)17-12-14-27(15-13-17)23-25-21(26-31-23)16-8-10-18(29-2)11-9-16/h4-11,17H,3,12-15H2,1-2H3,(H,24,28)
InChIKeySNLNPKBBLDQOBO-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.00
Rot. Bonds7

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

N-(2-ethoxyphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide (PubChem CID 24793707) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
PubChem CID24793707
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC NameN-(2-ethoxyphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)C1CCN(c2nc(-c3ccc(OC)cc3)no2)CC1
InChIInChI=1S/C23H26N4O4/c1-3-30-20-7-5-4-6-19(20)24-22(28)17-12-14-27(15-13-17)23-25-21(26-31-23)16-8-10-18(29-2)11-9-16/h4-11,17H,3,12-15H2,1-2H3,(H,24,28)
InChIKeySNLNPKBBLDQOBO-UHFFFAOYSA-N
XLogP4.00
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide (CID 24793707) is N-(2-ethoxyphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide is CCOc1ccccc1NC(=O)C1CCN(c2nc(-c3ccc(OC)cc3)no2)CC1.
What is the InChIKey of N-(2-ethoxyphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide?
The InChIKey is SNLNPKBBLDQOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-3-30-20-7-5-4-6-19(20)24-22(28)17-12-14-27(15-13-17)23-25-21(26-31-23)16-8-10-18(29-2)11-9-16/h4-11,17H,3,12-15H2,1-2H3,(H,24,28).
What are the key properties of N-(2-ethoxyphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide?
N-(2-ethoxyphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide is sourced from PubChem (CID 24793707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).