1-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide

C20H23FN2O3 — CID 30888734

IUPAC1-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)CCc2ccc(-c3ccccc3F)o2)CC1
InChIInChI=1S/C20H23FN2O3/c1-22-20(25)14-10-12-23(13-11-14)19(24)9-7-15-6-8-18(26-15)16-4-2-3-5-17(16)21/h2-6,8,14H,7,9-13H2,1H3,(H,22,25)
InChIKeyUBHBFMIQSKZMMI-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.00
Rot. Bonds5

About 1-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide

1-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide (PubChem CID 30888734) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is 1-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide
PubChem CID30888734
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name1-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)CCc2ccc(-c3ccccc3F)o2)CC1
InChIInChI=1S/C20H23FN2O3/c1-22-20(25)14-10-12-23(13-11-14)19(24)9-7-15-6-8-18(26-15)16-4-2-3-5-17(16)21/h2-6,8,14H,7,9-13H2,1H3,(H,22,25)
InChIKeyUBHBFMIQSKZMMI-UHFFFAOYSA-N
XLogP3.00
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide (CID 30888734) is 1-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(C(=O)CCc2ccc(-c3ccccc3F)o2)CC1.
What is the InChIKey of 1-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is UBHBFMIQSKZMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-22-20(25)14-10-12-23(13-11-14)19(24)9-7-15-6-8-18(26-15)16-4-2-3-5-17(16)21/h2-6,8,14H,7,9-13H2,1H3,(H,22,25).
What are the key properties of 1-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide?
1-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 358.41 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 30888734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).