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

C22H24N4O3 — CID 53166812

IUPACN-[(2-methoxyphenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CCN(c2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C22H24N4O3/c1-28-19-10-6-5-9-18(19)15-23-20(27)16-11-13-26(14-12-16)22-25-24-21(29-22)17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3,(H,23,27)
InChIKeyJLJBJDNKYJAXFC-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.28
Rot. Bonds6

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

N-[(2-methoxyphenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide (PubChem CID 53166812) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
PubChem CID53166812
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-[(2-methoxyphenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CCN(c2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C22H24N4O3/c1-28-19-10-6-5-9-18(19)15-23-20(27)16-11-13-26(14-12-16)22-25-24-21(29-22)17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3,(H,23,27)
InChIKeyJLJBJDNKYJAXFC-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-[(2-methoxyphenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide (CID 53166812) is N-[(2-methoxyphenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide is COc1ccccc1CNC(=O)C1CCN(c2nnc(-c3ccccc3)o2)CC1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is JLJBJDNKYJAXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-28-19-10-6-5-9-18(19)15-23-20(27)16-11-13-26(14-12-16)22-25-24-21(29-22)17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3,(H,23,27).
What are the key properties of N-[(2-methoxyphenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide?
N-[(2-methoxyphenyl)methyl]-1-(5-phenyl-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-[(2-methoxyphenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53166812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).