(E)-N-(1-benzylpiperidin-4-yl)-3-thiophen-2-ylprop-2-enamide

C19H22N2OS — CID 2329296

IUPAC(E)-N-(1-benzylpiperidin-4-yl)-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H22N2OS/c22-19(9-8-18-7-4-14-23-18)20-17-10-12-21(13-11-17)15-16-5-2-1-3-6-16/h1-9,14,17H,10-13,15H2,(H,20,22)/b9-8+
InChIKeyKZWUJDSUPVYGEO-CMDGGOBGSA-N
MW326.47 g/mol
LogP3.54
Rot. Bonds5

About (E)-N-(1-benzylpiperidin-4-yl)-3-thiophen-2-ylprop-2-enamide

(E)-N-(1-benzylpiperidin-4-yl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 2329296) has the molecular formula C19H22N2OS and a molecular weight of 326.47 g/mol. Its IUPAC name is (E)-N-(1-benzylpiperidin-4-yl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1-benzylpiperidin-4-yl)-3-thiophen-2-ylprop-2-enamide
PubChem CID2329296
Molecular FormulaC19H22N2OS
Molecular Weight326.47 g/mol
Exact Mass326.15
IUPAC Name(E)-N-(1-benzylpiperidin-4-yl)-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H22N2OS/c22-19(9-8-18-7-4-14-23-18)20-17-10-12-21(13-11-17)15-16-5-2-1-3-6-16/h1-9,14,17H,10-13,15H2,(H,20,22)/b9-8+
InChIKeyKZWUJDSUPVYGEO-CMDGGOBGSA-N
XLogP3.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 53.54
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 (E)-N-(1-benzylpiperidin-4-yl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(1-benzylpiperidin-4-yl)-3-thiophen-2-ylprop-2-enamide (CID 2329296) is (E)-N-(1-benzylpiperidin-4-yl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(1-benzylpiperidin-4-yl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(1-benzylpiperidin-4-yl)-3-thiophen-2-ylprop-2-enamide is O=C(/C=C/c1cccs1)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (E)-N-(1-benzylpiperidin-4-yl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is KZWUJDSUPVYGEO-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H22N2OS/c22-19(9-8-18-7-4-14-23-18)20-17-10-12-21(13-11-17)15-16-5-2-1-3-6-16/h1-9,14,17H,10-13,15H2,(H,20,22)/b9-8+.
What are the key properties of (E)-N-(1-benzylpiperidin-4-yl)-3-thiophen-2-ylprop-2-enamide?
(E)-N-(1-benzylpiperidin-4-yl)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 326.47 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-benzylpiperidin-4-yl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 2329296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).