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

C24H28N4O3 — CID 53166959

IUPACN-[(3-ethoxyphenyl)methyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
SMILESCCOc1cccc(CNC(=O)C2CCN(c3nnc(-c4ccc(C)cc4)o3)CC2)c1
InChIInChI=1S/C24H28N4O3/c1-3-30-21-6-4-5-18(15-21)16-25-22(29)19-11-13-28(14-12-19)24-27-26-23(31-24)20-9-7-17(2)8-10-20/h4-10,15,19H,3,11-14,16H2,1-2H3,(H,25,29)
InChIKeyKZKUONFZSGIYTB-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.98
Rot. Bonds7

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

N-[(3-ethoxyphenyl)methyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide (PubChem CID 53166959) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
PubChem CID53166959
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-[(3-ethoxyphenyl)methyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
SMILESCCOc1cccc(CNC(=O)C2CCN(c3nnc(-c4ccc(C)cc4)o3)CC2)c1
InChIInChI=1S/C24H28N4O3/c1-3-30-21-6-4-5-18(15-21)16-25-22(29)19-11-13-28(14-12-19)24-27-26-23(31-24)20-9-7-17(2)8-10-20/h4-10,15,19H,3,11-14,16H2,1-2H3,(H,25,29)
InChIKeyKZKUONFZSGIYTB-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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Related Compounds

N-[1-(4-ethoxyphenyl)ethyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 53166945
N-[(4-ethylphenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
CID 53166866
4-[(3-ethoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672581
N-[(3-chloro-4-fluorophenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 53166999
1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 53167001
N-cyclopropyl-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 53166922
N-[(3-ethoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 46775678
N-[(4-bromophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
CID 53166857
1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpiperidine-4-carboxamide
CID 83275073
N-[(3-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 53284778
1-(benzenesulfonyl)-N-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 94002807
N-[(3-ethoxyphenyl)methyl]-1-(oxan-4-yl)azetidine-3-carboxamide
CID 126826252

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-[(3-ethoxyphenyl)methyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide (CID 53166959) is N-[(3-ethoxyphenyl)methyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide is CCOc1cccc(CNC(=O)C2CCN(c3nnc(-c4ccc(C)cc4)o3)CC2)c1.
What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is KZKUONFZSGIYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-3-30-21-6-4-5-18(15-21)16-25-22(29)19-11-13-28(14-12-19)24-27-26-23(31-24)20-9-7-17(2)8-10-20/h4-10,15,19H,3,11-14,16H2,1-2H3,(H,25,29).
What are the key properties of N-[(3-ethoxyphenyl)methyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
N-[(3-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-[(3-ethoxyphenyl)methyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 53166959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).