N-[(E)-1-(furan-2-yl)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-en-2-yl]benzamide

C20H22N2O3 — CID 5344059

IUPACN-[(E)-1-(furan-2-yl)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-en-2-yl]benzamide
SMILESCC1CCN(C(=O)/C(=C\c2ccco2)NC(=O)c2ccccc2)CC1
InChIInChI=1S/C20H22N2O3/c1-15-9-11-22(12-10-15)20(24)18(14-17-8-5-13-25-17)21-19(23)16-6-3-2-4-7-16/h2-8,13-15H,9-12H2,1H3,(H,21,23)/b18-14+
InChIKeyMESAJFIFRLQKMP-NBVRZTHBSA-N
MW338.41 g/mol
LogP3.31
Rot. Bonds4

About N-[(E)-1-(furan-2-yl)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-en-2-yl]benzamide

N-[(E)-1-(furan-2-yl)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-en-2-yl]benzamide (PubChem CID 5344059) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[(E)-1-(furan-2-yl)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(E)-1-(furan-2-yl)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-en-2-yl]benzamide
PubChem CID5344059
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[(E)-1-(furan-2-yl)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-en-2-yl]benzamide
SMILESCC1CCN(C(=O)/C(=C\c2ccco2)NC(=O)c2ccccc2)CC1
InChIInChI=1S/C20H22N2O3/c1-15-9-11-22(12-10-15)20(24)18(14-17-8-5-13-25-17)21-19(23)16-6-3-2-4-7-16/h2-8,13-15H,9-12H2,1H3,(H,21,23)/b18-14+
InChIKeyMESAJFIFRLQKMP-NBVRZTHBSA-N
XLogP3.31
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.31
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)-1-(furan-2-yl)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-en-2-yl]benzamide?
The IUPAC name of N-[(E)-1-(furan-2-yl)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-en-2-yl]benzamide (CID 5344059) is N-[(E)-1-(furan-2-yl)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(E)-1-(furan-2-yl)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(E)-1-(furan-2-yl)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-en-2-yl]benzamide is CC1CCN(C(=O)/C(=C\c2ccco2)NC(=O)c2ccccc2)CC1.
What is the InChIKey of N-[(E)-1-(furan-2-yl)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-en-2-yl]benzamide?
The InChIKey is MESAJFIFRLQKMP-NBVRZTHBSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-15-9-11-22(12-10-15)20(24)18(14-17-8-5-13-25-17)21-19(23)16-6-3-2-4-7-16/h2-8,13-15H,9-12H2,1H3,(H,21,23)/b18-14+.
What are the key properties of N-[(E)-1-(furan-2-yl)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-en-2-yl]benzamide?
N-[(E)-1-(furan-2-yl)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-en-2-yl]benzamide has a molecular weight of 338.41 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(furan-2-yl)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-en-2-yl]benzamide is sourced from PubChem (CID 5344059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).