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

C23H26N4O4 — CID 53166966

IUPACN-[(2-methoxyphenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2nnc(N3CCC(C(=O)NCc4ccccc4OC)CC3)o2)cc1
InChIInChI=1S/C23H26N4O4/c1-29-19-9-7-17(8-10-19)22-25-26-23(31-22)27-13-11-16(12-14-27)21(28)24-15-18-5-3-4-6-20(18)30-2/h3-10,16H,11-15H2,1-2H3,(H,24,28)
InChIKeyVQYLBFKYQZGVTL-UHFFFAOYSA-N
MW422.49 g/mol
LogP3.29
Rot. Bonds7

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

N-[(2-methoxyphenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide (PubChem CID 53166966) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
PubChem CID53166966
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC NameN-[(2-methoxyphenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2nnc(N3CCC(C(=O)NCc4ccccc4OC)CC3)o2)cc1
InChIInChI=1S/C23H26N4O4/c1-29-19-9-7-17(8-10-19)22-25-26-23(31-22)27-13-11-16(12-14-27)21(28)24-15-18-5-3-4-6-20(18)30-2/h3-10,16H,11-15H2,1-2H3,(H,24,28)
InChIKeyVQYLBFKYQZGVTL-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide (CID 53166966) is N-[(2-methoxyphenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide is COc1ccc(-c2nnc(N3CCC(C(=O)NCc4ccccc4OC)CC3)o2)cc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is VQYLBFKYQZGVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-29-19-9-7-17(8-10-19)22-25-26-23(31-22)27-13-11-16(12-14-27)21(28)24-15-18-5-3-4-6-20(18)30-2/h3-10,16H,11-15H2,1-2H3,(H,24,28).
What are the key properties of N-[(2-methoxyphenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
N-[(2-methoxyphenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 53166966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).