N-benzyl-4-oxo-4-piperidin-1-ylbut-2-enamide

C16H20N2O2 — CID 44522952

IUPACN-benzyl-4-oxo-4-piperidin-1-ylbut-2-enamide
SMILESO=C(C=CC(=O)N1CCCCC1)NCc1ccccc1
InChIInChI=1S/C16H20N2O2/c19-15(17-13-14-7-3-1-4-8-14)9-10-16(20)18-11-5-2-6-12-18/h1,3-4,7-10H,2,5-6,11-13H2,(H,17,19)
InChIKeySATOQPLTBREGQB-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.87
Rot. Bonds4

About N-benzyl-4-oxo-4-piperidin-1-ylbut-2-enamide

N-benzyl-4-oxo-4-piperidin-1-ylbut-2-enamide (PubChem CID 44522952) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-benzyl-4-oxo-4-piperidin-1-ylbut-2-enamide.

Molecular Properties

Compound NameN-benzyl-4-oxo-4-piperidin-1-ylbut-2-enamide
PubChem CID44522952
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-benzyl-4-oxo-4-piperidin-1-ylbut-2-enamide
SMILESO=C(C=CC(=O)N1CCCCC1)NCc1ccccc1
InChIInChI=1S/C16H20N2O2/c19-15(17-13-14-7-3-1-4-8-14)9-10-16(20)18-11-5-2-6-12-18/h1,3-4,7-10H,2,5-6,11-13H2,(H,17,19)
InChIKeySATOQPLTBREGQB-UHFFFAOYSA-N
XLogP1.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.87
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-benzyl-4-oxo-4-piperidin-1-ylbut-2-enamide?
The IUPAC name of N-benzyl-4-oxo-4-piperidin-1-ylbut-2-enamide (CID 44522952) is N-benzyl-4-oxo-4-piperidin-1-ylbut-2-enamide.
What is the SMILES notation for N-benzyl-4-oxo-4-piperidin-1-ylbut-2-enamide?
The canonical SMILES for N-benzyl-4-oxo-4-piperidin-1-ylbut-2-enamide is O=C(C=CC(=O)N1CCCCC1)NCc1ccccc1.
What is the InChIKey of N-benzyl-4-oxo-4-piperidin-1-ylbut-2-enamide?
The InChIKey is SATOQPLTBREGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-15(17-13-14-7-3-1-4-8-14)9-10-16(20)18-11-5-2-6-12-18/h1,3-4,7-10H,2,5-6,11-13H2,(H,17,19).
What are the key properties of N-benzyl-4-oxo-4-piperidin-1-ylbut-2-enamide?
N-benzyl-4-oxo-4-piperidin-1-ylbut-2-enamide has a molecular weight of 272.35 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-oxo-4-piperidin-1-ylbut-2-enamide is sourced from PubChem (CID 44522952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).