(E)-3-phenyl-N-piperidin-1-ylprop-2-enamide

C14H18N2O — CID 6072842

IUPAC(E)-3-phenyl-N-piperidin-1-ylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NN1CCCCC1
InChIInChI=1S/C14H18N2O/c17-14(15-16-11-5-2-6-12-16)10-9-13-7-3-1-4-8-13/h1,3-4,7-10H,2,5-6,11-12H2,(H,15,17)/b10-9+
InChIKeyFOTGLNLCAHKSQF-MDZDMXLPSA-N
MW230.31 g/mol
LogP2.22
Rot. Bonds3

About (E)-3-phenyl-N-piperidin-1-ylprop-2-enamide

(E)-3-phenyl-N-piperidin-1-ylprop-2-enamide (PubChem CID 6072842) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is (E)-3-phenyl-N-piperidin-1-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-phenyl-N-piperidin-1-ylprop-2-enamide
PubChem CID6072842
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name(E)-3-phenyl-N-piperidin-1-ylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NN1CCCCC1
InChIInChI=1S/C14H18N2O/c17-14(15-16-11-5-2-6-12-16)10-9-13-7-3-1-4-8-13/h1,3-4,7-10H,2,5-6,11-12H2,(H,15,17)/b10-9+
InChIKeyFOTGLNLCAHKSQF-MDZDMXLPSA-N
XLogP2.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.22
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 (E)-3-phenyl-N-piperidin-1-ylprop-2-enamide?
The IUPAC name of (E)-3-phenyl-N-piperidin-1-ylprop-2-enamide (CID 6072842) is (E)-3-phenyl-N-piperidin-1-ylprop-2-enamide.
What is the SMILES notation for (E)-3-phenyl-N-piperidin-1-ylprop-2-enamide?
The canonical SMILES for (E)-3-phenyl-N-piperidin-1-ylprop-2-enamide is O=C(/C=C/c1ccccc1)NN1CCCCC1.
What is the InChIKey of (E)-3-phenyl-N-piperidin-1-ylprop-2-enamide?
The InChIKey is FOTGLNLCAHKSQF-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H18N2O/c17-14(15-16-11-5-2-6-12-16)10-9-13-7-3-1-4-8-13/h1,3-4,7-10H,2,5-6,11-12H2,(H,15,17)/b10-9+.
What are the key properties of (E)-3-phenyl-N-piperidin-1-ylprop-2-enamide?
(E)-3-phenyl-N-piperidin-1-ylprop-2-enamide has a molecular weight of 230.31 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-N-piperidin-1-ylprop-2-enamide is sourced from PubChem (CID 6072842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).