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

C16H20N2O2 — CID 5407865

IUPACN-[(E)-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]acetamide
SMILESCC(=O)N/C(=C/c1ccccc1)C(=O)N1CCCCC1
InChIInChI=1S/C16H20N2O2/c1-13(19)17-15(12-14-8-4-2-5-9-14)16(20)18-10-6-3-7-11-18/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3,(H,17,19)/b15-12+
InChIKeyOCUOCMNKJRHJMW-NTCAYCPXSA-N
MW272.35 g/mol
LogP2.18
Rot. Bonds3

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

N-[(E)-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]acetamide (PubChem CID 5407865) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[(E)-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(E)-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]acetamide
PubChem CID5407865
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[(E)-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]acetamide
SMILESCC(=O)N/C(=C/c1ccccc1)C(=O)N1CCCCC1
InChIInChI=1S/C16H20N2O2/c1-13(19)17-15(12-14-8-4-2-5-9-14)16(20)18-10-6-3-7-11-18/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3,(H,17,19)/b15-12+
InChIKeyOCUOCMNKJRHJMW-NTCAYCPXSA-N
XLogP2.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.18
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]acetamide?
The IUPAC name of N-[(E)-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]acetamide (CID 5407865) is N-[(E)-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]acetamide.
What is the SMILES notation for N-[(E)-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]acetamide?
The canonical SMILES for N-[(E)-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]acetamide is CC(=O)N/C(=C/c1ccccc1)C(=O)N1CCCCC1.
What is the InChIKey of N-[(E)-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]acetamide?
The InChIKey is OCUOCMNKJRHJMW-NTCAYCPXSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-13(19)17-15(12-14-8-4-2-5-9-14)16(20)18-10-6-3-7-11-18/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3,(H,17,19)/b15-12+.
What are the key properties of N-[(E)-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]acetamide?
N-[(E)-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]acetamide has a molecular weight of 272.35 g/mol, XLogP of 2.18, 3 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]acetamide is sourced from PubChem (CID 5407865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).