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

C22H24N4O3 — CID 53166980

IUPACN-benzyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2nnc(N3CCC(C(=O)NCc4ccccc4)CC3)o2)cc1
InChIInChI=1S/C22H24N4O3/c1-28-19-9-7-18(8-10-19)21-24-25-22(29-21)26-13-11-17(12-14-26)20(27)23-15-16-5-3-2-4-6-16/h2-10,17H,11-15H2,1H3,(H,23,27)
InChIKeyPAPRYOWZGIFFEJ-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.28
Rot. Bonds6

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

N-benzyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide (PubChem CID 53166980) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-benzyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
PubChem CID53166980
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-benzyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2nnc(N3CCC(C(=O)NCc4ccccc4)CC3)o2)cc1
InChIInChI=1S/C22H24N4O3/c1-28-19-9-7-18(8-10-19)21-24-25-22(29-21)26-13-11-17(12-14-26)20(27)23-15-16-5-3-2-4-6-16/h2-10,17H,11-15H2,1H3,(H,23,27)
InChIKeyPAPRYOWZGIFFEJ-UHFFFAOYSA-N
XLogP3.28
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide (CID 53166980) is N-benzyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide is COc1ccc(-c2nnc(N3CCC(C(=O)NCc4ccccc4)CC3)o2)cc1.
What is the InChIKey of N-benzyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is PAPRYOWZGIFFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-28-19-9-7-18(8-10-19)21-24-25-22(29-21)26-13-11-17(12-14-26)20(27)23-15-16-5-3-2-4-6-16/h2-10,17H,11-15H2,1H3,(H,23,27).
What are the key properties of N-benzyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
N-benzyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 53166980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).