N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-3-carboxamide

C17H17F3N2O2 — CID 31843920

IUPACN-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-3-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccoc1
InChIInChI=1S/C17H17F3N2O2/c18-17(19,20)13-4-5-15(22-7-2-1-3-8-22)14(10-13)21-16(23)12-6-9-24-11-12/h4-6,9-11H,1-3,7-8H2,(H,21,23)
InChIKeyVYRJXSWEPSNPHN-UHFFFAOYSA-N
MW338.33 g/mol
LogP4.54
Rot. Bonds3

About N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-3-carboxamide

N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-3-carboxamide (PubChem CID 31843920) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-3-carboxamide
PubChem CID31843920
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC NameN-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-3-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccoc1
InChIInChI=1S/C17H17F3N2O2/c18-17(19,20)13-4-5-15(22-7-2-1-3-8-22)14(10-13)21-16(23)12-6-9-24-11-12/h4-6,9-11H,1-3,7-8H2,(H,21,23)
InChIKeyVYRJXSWEPSNPHN-UHFFFAOYSA-N
XLogP4.54
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-3-carboxamide?
The IUPAC name of N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-3-carboxamide (CID 31843920) is N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-3-carboxamide.
What is the SMILES notation for N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-3-carboxamide?
The canonical SMILES for N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-3-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccoc1.
What is the InChIKey of N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-3-carboxamide?
The InChIKey is VYRJXSWEPSNPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c18-17(19,20)13-4-5-15(22-7-2-1-3-8-22)14(10-13)21-16(23)12-6-9-24-11-12/h4-6,9-11H,1-3,7-8H2,(H,21,23).
What are the key properties of N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-3-carboxamide?
N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-3-carboxamide has a molecular weight of 338.33 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-3-carboxamide is sourced from PubChem (CID 31843920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).