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

C24H28N4O3 — CID 53166952

IUPACN-[(2-ethoxyphenyl)methyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
SMILESCCOc1ccccc1CNC(=O)C1CCN(c2nnc(-c3ccc(C)cc3)o2)CC1
InChIInChI=1S/C24H28N4O3/c1-3-30-21-7-5-4-6-20(21)16-25-22(29)18-12-14-28(15-13-18)24-27-26-23(31-24)19-10-8-17(2)9-11-19/h4-11,18H,3,12-16H2,1-2H3,(H,25,29)
InChIKeyYGZKVJDMVWBHPV-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.98
Rot. Bonds7

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

N-[(2-ethoxyphenyl)methyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide (PubChem CID 53166952) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
PubChem CID53166952
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-[(2-ethoxyphenyl)methyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
SMILESCCOc1ccccc1CNC(=O)C1CCN(c2nnc(-c3ccc(C)cc3)o2)CC1
InChIInChI=1S/C24H28N4O3/c1-3-30-21-7-5-4-6-20(21)16-25-22(29)18-12-14-28(15-13-18)24-27-26-23(31-24)19-10-8-17(2)9-11-19/h4-11,18H,3,12-16H2,1-2H3,(H,25,29)
InChIKeyYGZKVJDMVWBHPV-UHFFFAOYSA-N
XLogP3.98
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.98
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-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide (CID 53166952) is N-[(2-ethoxyphenyl)methyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide is CCOc1ccccc1CNC(=O)C1CCN(c2nnc(-c3ccc(C)cc3)o2)CC1.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is YGZKVJDMVWBHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-3-30-21-7-5-4-6-20(21)16-25-22(29)18-12-14-28(15-13-18)24-27-26-23(31-24)19-10-8-17(2)9-11-19/h4-11,18H,3,12-16H2,1-2H3,(H,25,29).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
N-[(2-ethoxyphenyl)methyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 3.98, 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-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 53166952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).