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

C23H26N4O3 — CID 53166864

IUPACN-[(2-ethoxyphenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
SMILESCCOc1ccccc1CNC(=O)C1CCN(c2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C23H26N4O3/c1-2-29-20-11-7-6-10-19(20)16-24-21(28)17-12-14-27(15-13-17)23-26-25-22(30-23)18-8-4-3-5-9-18/h3-11,17H,2,12-16H2,1H3,(H,24,28)
InChIKeyZTQUDJSUNJRCEB-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.67
Rot. Bonds7

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

N-[(2-ethoxyphenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide (PubChem CID 53166864) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
PubChem CID53166864
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-[(2-ethoxyphenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
SMILESCCOc1ccccc1CNC(=O)C1CCN(c2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C23H26N4O3/c1-2-29-20-11-7-6-10-19(20)16-24-21(28)17-12-14-27(15-13-17)23-26-25-22(30-23)18-8-4-3-5-9-18/h3-11,17H,2,12-16H2,1H3,(H,24,28)
InChIKeyZTQUDJSUNJRCEB-UHFFFAOYSA-N
XLogP3.67
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide (CID 53166864) is N-[(2-ethoxyphenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide is CCOc1ccccc1CNC(=O)C1CCN(c2nnc(-c3ccccc3)o2)CC1.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is ZTQUDJSUNJRCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-2-29-20-11-7-6-10-19(20)16-24-21(28)17-12-14-27(15-13-17)23-26-25-22(30-23)18-8-4-3-5-9-18/h3-11,17H,2,12-16H2,1H3,(H,24,28).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide?
N-[(2-ethoxyphenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53166864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).