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

C19H23F3N4O4 — CID 91920673

IUPAC2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESCOCCOCc1nc(C2CCCCN2C(=O)Nc2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C19H23F3N4O4/c1-28-9-10-29-12-16-24-17(25-30-16)15-7-2-3-8-26(15)18(27)23-14-6-4-5-13(11-14)19(20,21)22/h4-6,11,15H,2-3,7-10,12H2,1H3,(H,23,27)
InChIKeyVZLRPDASVWPEND-UHFFFAOYSA-N
MW428.41 g/mol
LogP4.01
Rot. Bonds7

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

2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 91920673) has the molecular formula C19H23F3N4O4 and a molecular weight of 428.41 g/mol. Its IUPAC name is 2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID91920673
Molecular FormulaC19H23F3N4O4
Molecular Weight428.41 g/mol
Exact Mass428.17
IUPAC Name2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESCOCCOCc1nc(C2CCCCN2C(=O)Nc2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C19H23F3N4O4/c1-28-9-10-29-12-16-24-17(25-30-16)15-7-2-3-8-26(15)18(27)23-14-6-4-5-13(11-14)19(20,21)22/h4-6,11,15H,2-3,7-10,12H2,1H3,(H,23,27)
InChIKeyVZLRPDASVWPEND-UHFFFAOYSA-N
XLogP4.01
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 91920673) is 2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide is COCCOCc1nc(C2CCCCN2C(=O)Nc2cccc(C(F)(F)F)c2)no1.
What is the InChIKey of 2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is VZLRPDASVWPEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O4/c1-28-9-10-29-12-16-24-17(25-30-16)15-7-2-3-8-26(15)18(27)23-14-6-4-5-13(11-14)19(20,21)22/h4-6,11,15H,2-3,7-10,12H2,1H3,(H,23,27).
What are the key properties of 2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 428.41 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 91920673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).