N-[(2-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide

C25H27FN2O2 — CID 164851922

IUPACN-[(2-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide
SMILESO=C(c1ccco1)N(Cc1ccccc1F)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C25H27FN2O2/c26-23-10-5-4-9-21(23)19-28(25(29)24-11-6-18-30-24)22-13-16-27(17-14-22)15-12-20-7-2-1-3-8-20/h1-11,18,22H,12-17,19H2
InChIKeyWADXPQMUTSVGAD-UHFFFAOYSA-N
MW406.50 g/mol
LogP4.77
Rot. Bonds7

About N-[(2-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide

N-[(2-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide (PubChem CID 164851922) has the molecular formula C25H27FN2O2 and a molecular weight of 406.50 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide
PubChem CID164851922
Molecular FormulaC25H27FN2O2
Molecular Weight406.50 g/mol
Exact Mass406.21
IUPAC NameN-[(2-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide
SMILESO=C(c1ccco1)N(Cc1ccccc1F)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C25H27FN2O2/c26-23-10-5-4-9-21(23)19-28(25(29)24-11-6-18-30-24)22-13-16-27(17-14-22)15-12-20-7-2-1-3-8-20/h1-11,18,22H,12-17,19H2
InChIKeyWADXPQMUTSVGAD-UHFFFAOYSA-N
XLogP4.77
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide (CID 164851922) is N-[(2-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide is O=C(c1ccco1)N(Cc1ccccc1F)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide?
The InChIKey is WADXPQMUTSVGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O2/c26-23-10-5-4-9-21(23)19-28(25(29)24-11-6-18-30-24)22-13-16-27(17-14-22)15-12-20-7-2-1-3-8-20/h1-11,18,22H,12-17,19H2.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide?
N-[(2-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide has a molecular weight of 406.50 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 164851922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).