N-[(E)-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]furan-2-carboxamide

C19H20N2O3 — CID 738317

IUPACN-[(E)-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]furan-2-carboxamide
SMILESO=C(N/C(=C/c1ccccc1)C(=O)N1CCCCC1)c1ccco1
InChIInChI=1S/C19H20N2O3/c22-18(17-10-7-13-24-17)20-16(14-15-8-3-1-4-9-15)19(23)21-11-5-2-6-12-21/h1,3-4,7-10,13-14H,2,5-6,11-12H2,(H,20,22)/b16-14+
InChIKeyYKPNUUVTLHEZQT-JQIJEIRASA-N
MW324.38 g/mol
LogP3.06
Rot. Bonds4

About N-[(E)-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]furan-2-carboxamide

N-[(E)-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]furan-2-carboxamide (PubChem CID 738317) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[(E)-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]furan-2-carboxamide
PubChem CID738317
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-[(E)-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]furan-2-carboxamide
SMILESO=C(N/C(=C/c1ccccc1)C(=O)N1CCCCC1)c1ccco1
InChIInChI=1S/C19H20N2O3/c22-18(17-10-7-13-24-17)20-16(14-15-8-3-1-4-9-15)19(23)21-11-5-2-6-12-21/h1,3-4,7-10,13-14H,2,5-6,11-12H2,(H,20,22)/b16-14+
InChIKeyYKPNUUVTLHEZQT-JQIJEIRASA-N
XLogP3.06
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(E)-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]furan-2-carboxamide (CID 738317) is N-[(E)-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(E)-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(E)-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]furan-2-carboxamide is O=C(N/C(=C/c1ccccc1)C(=O)N1CCCCC1)c1ccco1.
What is the InChIKey of N-[(E)-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]furan-2-carboxamide?
The InChIKey is YKPNUUVTLHEZQT-JQIJEIRASA-N. The full InChI is InChI=1S/C19H20N2O3/c22-18(17-10-7-13-24-17)20-16(14-15-8-3-1-4-9-15)19(23)21-11-5-2-6-12-21/h1,3-4,7-10,13-14H,2,5-6,11-12H2,(H,20,22)/b16-14+.
What are the key properties of N-[(E)-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]furan-2-carboxamide?
N-[(E)-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]furan-2-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]furan-2-carboxamide is sourced from PubChem (CID 738317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).