2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-6-oxopiperidine-3-carboxamide

C28H26N4O5 — CID 43056144

IUPAC2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(N2C(=O)CCC(C(=O)Nc3cccc(-c4nnco4)c3)C2c2ccccc2OC)cc1
InChIInChI=1S/C28H26N4O5/c1-35-21-12-10-20(11-13-21)32-25(33)15-14-23(26(32)22-8-3-4-9-24(22)36-2)27(34)30-19-7-5-6-18(16-19)28-31-29-17-37-28/h3-13,16-17,23,26H,14-15H2,1-2H3,(H,30,34)
InChIKeyMDEHMXZSKDPZOP-UHFFFAOYSA-N
MW498.54 g/mol
LogP4.88
Rot. Bonds7

About 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-6-oxopiperidine-3-carboxamide

2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-6-oxopiperidine-3-carboxamide (PubChem CID 43056144) has the molecular formula C28H26N4O5 and a molecular weight of 498.54 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-6-oxopiperidine-3-carboxamide
PubChem CID43056144
Molecular FormulaC28H26N4O5
Molecular Weight498.54 g/mol
Exact Mass498.19
IUPAC Name2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(N2C(=O)CCC(C(=O)Nc3cccc(-c4nnco4)c3)C2c2ccccc2OC)cc1
InChIInChI=1S/C28H26N4O5/c1-35-21-12-10-20(11-13-21)32-25(33)15-14-23(26(32)22-8-3-4-9-24(22)36-2)27(34)30-19-7-5-6-18(16-19)28-31-29-17-37-28/h3-13,16-17,23,26H,14-15H2,1-2H3,(H,30,34)
InChIKeyMDEHMXZSKDPZOP-UHFFFAOYSA-N
XLogP4.88
TPSA106.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.54
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-6-oxopiperidine-3-carboxamide (CID 43056144) is 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-6-oxopiperidine-3-carboxamide is COc1ccc(N2C(=O)CCC(C(=O)Nc3cccc(-c4nnco4)c3)C2c2ccccc2OC)cc1.
What is the InChIKey of 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is MDEHMXZSKDPZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O5/c1-35-21-12-10-20(11-13-21)32-25(33)15-14-23(26(32)22-8-3-4-9-24(22)36-2)27(34)30-19-7-5-6-18(16-19)28-31-29-17-37-28/h3-13,16-17,23,26H,14-15H2,1-2H3,(H,30,34).
What are the key properties of 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-6-oxopiperidine-3-carboxamide?
2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 498.54 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 43056144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).