(E)-1-[3-(ethoxymethyl)piperidin-1-yl]-2-methyl-3-thiophen-2-ylprop-2-en-1-one

C16H23NO2S — CID 110416541

IUPAC(E)-1-[3-(ethoxymethyl)piperidin-1-yl]-2-methyl-3-thiophen-2-ylprop-2-en-1-one
SMILESCCOCC1CCCN(C(=O)/C(C)=C/c2cccs2)C1
InChIInChI=1S/C16H23NO2S/c1-3-19-12-14-6-4-8-17(11-14)16(18)13(2)10-15-7-5-9-20-15/h5,7,9-10,14H,3-4,6,8,11-12H2,1-2H3/b13-10+
InChIKeyBYNLLHMOJNEJKE-JLHYYAGUSA-N
MW293.43 g/mol
LogP3.43
Rot. Bonds5

About (E)-1-[3-(ethoxymethyl)piperidin-1-yl]-2-methyl-3-thiophen-2-ylprop-2-en-1-one

(E)-1-[3-(ethoxymethyl)piperidin-1-yl]-2-methyl-3-thiophen-2-ylprop-2-en-1-one (PubChem CID 110416541) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is (E)-1-[3-(ethoxymethyl)piperidin-1-yl]-2-methyl-3-thiophen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[3-(ethoxymethyl)piperidin-1-yl]-2-methyl-3-thiophen-2-ylprop-2-en-1-one
PubChem CID110416541
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC Name(E)-1-[3-(ethoxymethyl)piperidin-1-yl]-2-methyl-3-thiophen-2-ylprop-2-en-1-one
SMILESCCOCC1CCCN(C(=O)/C(C)=C/c2cccs2)C1
InChIInChI=1S/C16H23NO2S/c1-3-19-12-14-6-4-8-17(11-14)16(18)13(2)10-15-7-5-9-20-15/h5,7,9-10,14H,3-4,6,8,11-12H2,1-2H3/b13-10+
InChIKeyBYNLLHMOJNEJKE-JLHYYAGUSA-N
XLogP3.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-1-[3-(ethoxymethyl)piperidin-1-yl]-2-methyl-3-thiophen-2-ylprop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(ethoxymethyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 110418083
(2-chlorophenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone
CID 110602773
3-(ethoxymethyl)-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-carboxamide
CID 56790214
[3-(ethoxymethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 110418071
(E)-2-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-thiophen-2-ylprop-2-en-1-one
CID 110298550
2-[3-(ethoxymethyl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 56790234
(E)-1-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-2-methyl-3-thiophen-2-ylprop-2-en-1-one
CID 110618858
1-[3-(ethoxymethyl)piperidin-1-yl]-5-phenylpentan-1-one
CID 110416532
N-butan-2-yl-3-(ethoxymethyl)piperidine-1-carboxamide
CID 110610311
(Z)-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methyl-3-(4-methylphenyl)prop-2-en-1-one
CID 110005888
(3S)-3-(ethoxymethyl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide
CID 95905079
1-(2-chlorophenyl)-4-[3-(ethoxymethyl)piperidin-1-yl]butane-1,4-dione
CID 110610376

Frequently Asked Questions

What is the IUPAC name of (E)-1-[3-(ethoxymethyl)piperidin-1-yl]-2-methyl-3-thiophen-2-ylprop-2-en-1-one?
The IUPAC name of (E)-1-[3-(ethoxymethyl)piperidin-1-yl]-2-methyl-3-thiophen-2-ylprop-2-en-1-one (CID 110416541) is (E)-1-[3-(ethoxymethyl)piperidin-1-yl]-2-methyl-3-thiophen-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-[3-(ethoxymethyl)piperidin-1-yl]-2-methyl-3-thiophen-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-[3-(ethoxymethyl)piperidin-1-yl]-2-methyl-3-thiophen-2-ylprop-2-en-1-one is CCOCC1CCCN(C(=O)/C(C)=C/c2cccs2)C1.
What is the InChIKey of (E)-1-[3-(ethoxymethyl)piperidin-1-yl]-2-methyl-3-thiophen-2-ylprop-2-en-1-one?
The InChIKey is BYNLLHMOJNEJKE-JLHYYAGUSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-3-19-12-14-6-4-8-17(11-14)16(18)13(2)10-15-7-5-9-20-15/h5,7,9-10,14H,3-4,6,8,11-12H2,1-2H3/b13-10+.
What are the key properties of (E)-1-[3-(ethoxymethyl)piperidin-1-yl]-2-methyl-3-thiophen-2-ylprop-2-en-1-one?
(E)-1-[3-(ethoxymethyl)piperidin-1-yl]-2-methyl-3-thiophen-2-ylprop-2-en-1-one has a molecular weight of 293.43 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[3-(ethoxymethyl)piperidin-1-yl]-2-methyl-3-thiophen-2-ylprop-2-en-1-one is sourced from PubChem (CID 110416541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).