(E)-N-methyl-N-piperidin-4-yl-3-thiophen-2-ylprop-2-enamide

C13H18N2OS — CID 43602226

IUPAC(E)-N-methyl-N-piperidin-4-yl-3-thiophen-2-ylprop-2-enamide
SMILESCN(C(=O)/C=C/c1cccs1)C1CCNCC1
InChIInChI=1S/C13H18N2OS/c1-15(11-6-8-14-9-7-11)13(16)5-4-12-3-2-10-17-12/h2-5,10-11,14H,6-9H2,1H3/b5-4+
InChIKeyBHIQCMBXBOQZAR-SNAWJCMRSA-N
MW250.37 g/mol
LogP1.97
Rot. Bonds3

About (E)-N-methyl-N-piperidin-4-yl-3-thiophen-2-ylprop-2-enamide

(E)-N-methyl-N-piperidin-4-yl-3-thiophen-2-ylprop-2-enamide (PubChem CID 43602226) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is (E)-N-methyl-N-piperidin-4-yl-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-N-piperidin-4-yl-3-thiophen-2-ylprop-2-enamide
PubChem CID43602226
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name(E)-N-methyl-N-piperidin-4-yl-3-thiophen-2-ylprop-2-enamide
SMILESCN(C(=O)/C=C/c1cccs1)C1CCNCC1
InChIInChI=1S/C13H18N2OS/c1-15(11-6-8-14-9-7-11)13(16)5-4-12-3-2-10-17-12/h2-5,10-11,14H,6-9H2,1H3/b5-4+
InChIKeyBHIQCMBXBOQZAR-SNAWJCMRSA-N
XLogP1.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.97
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-methyl-N-piperidin-4-yl-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-methyl-N-piperidin-4-yl-3-thiophen-2-ylprop-2-enamide (CID 43602226) is (E)-N-methyl-N-piperidin-4-yl-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-methyl-N-piperidin-4-yl-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-methyl-N-piperidin-4-yl-3-thiophen-2-ylprop-2-enamide is CN(C(=O)/C=C/c1cccs1)C1CCNCC1.
What is the InChIKey of (E)-N-methyl-N-piperidin-4-yl-3-thiophen-2-ylprop-2-enamide?
The InChIKey is BHIQCMBXBOQZAR-SNAWJCMRSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-15(11-6-8-14-9-7-11)13(16)5-4-12-3-2-10-17-12/h2-5,10-11,14H,6-9H2,1H3/b5-4+.
What are the key properties of (E)-N-methyl-N-piperidin-4-yl-3-thiophen-2-ylprop-2-enamide?
(E)-N-methyl-N-piperidin-4-yl-3-thiophen-2-ylprop-2-enamide has a molecular weight of 250.37 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-N-piperidin-4-yl-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 43602226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).