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

C21H22N2O2 — CID 781134

IUPACN-[(E)-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]benzamide
SMILESO=C(N/C(=C/c1ccccc1)C(=O)N1CCCCC1)c1ccccc1
InChIInChI=1S/C21H22N2O2/c24-20(18-12-6-2-7-13-18)22-19(16-17-10-4-1-5-11-17)21(25)23-14-8-3-9-15-23/h1-2,4-7,10-13,16H,3,8-9,14-15H2,(H,22,24)/b19-16+
InChIKeyBFADWOIEUIYQFR-KNTRCKAVSA-N
MW334.42 g/mol
LogP3.47
Rot. Bonds4

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

N-[(E)-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]benzamide (PubChem CID 781134) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(E)-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(E)-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]benzamide
PubChem CID781134
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-[(E)-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]benzamide
SMILESO=C(N/C(=C/c1ccccc1)C(=O)N1CCCCC1)c1ccccc1
InChIInChI=1S/C21H22N2O2/c24-20(18-12-6-2-7-13-18)22-19(16-17-10-4-1-5-11-17)21(25)23-14-8-3-9-15-23/h1-2,4-7,10-13,16H,3,8-9,14-15H2,(H,22,24)/b19-16+
InChIKeyBFADWOIEUIYQFR-KNTRCKAVSA-N
XLogP3.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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]benzamide?
The IUPAC name of N-[(E)-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]benzamide (CID 781134) is N-[(E)-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(E)-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(E)-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]benzamide is O=C(N/C(=C/c1ccccc1)C(=O)N1CCCCC1)c1ccccc1.
What is the InChIKey of N-[(E)-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]benzamide?
The InChIKey is BFADWOIEUIYQFR-KNTRCKAVSA-N. The full InChI is InChI=1S/C21H22N2O2/c24-20(18-12-6-2-7-13-18)22-19(16-17-10-4-1-5-11-17)21(25)23-14-8-3-9-15-23/h1-2,4-7,10-13,16H,3,8-9,14-15H2,(H,22,24)/b19-16+.
What are the key properties of N-[(E)-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]benzamide?
N-[(E)-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]benzamide has a molecular weight of 334.42 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 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]benzamide is sourced from PubChem (CID 781134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).