ethyl 4-[2-(3-methylthiophen-2-yl)imidazol-1-yl]piperidine-1-carboxylate

C16H21N3O2S — CID 56866312

IUPACethyl 4-[2-(3-methylthiophen-2-yl)imidazol-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(n2ccnc2-c2sccc2C)CC1
InChIInChI=1S/C16H21N3O2S/c1-3-21-16(20)18-8-4-13(5-9-18)19-10-7-17-15(19)14-12(2)6-11-22-14/h6-7,10-11,13H,3-5,8-9H2,1-2H3
InChIKeyJIWOWTXBMZZLLO-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.71
Rot. Bonds3

About ethyl 4-[2-(3-methylthiophen-2-yl)imidazol-1-yl]piperidine-1-carboxylate

ethyl 4-[2-(3-methylthiophen-2-yl)imidazol-1-yl]piperidine-1-carboxylate (PubChem CID 56866312) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is ethyl 4-[2-(3-methylthiophen-2-yl)imidazol-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(3-methylthiophen-2-yl)imidazol-1-yl]piperidine-1-carboxylate
PubChem CID56866312
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Nameethyl 4-[2-(3-methylthiophen-2-yl)imidazol-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(n2ccnc2-c2sccc2C)CC1
InChIInChI=1S/C16H21N3O2S/c1-3-21-16(20)18-8-4-13(5-9-18)19-10-7-17-15(19)14-12(2)6-11-22-14/h6-7,10-11,13H,3-5,8-9H2,1-2H3
InChIKeyJIWOWTXBMZZLLO-UHFFFAOYSA-N
XLogP3.71
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[2-(3-methylthiophen-2-yl)imidazol-1-yl]piperidine-1-carboxylate 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

(2-methoxyethyl){[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}[(3-methyl-2-thienyl)methyl]amine
CID 46986746
1-({5-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-3-thienyl}methyl)piperidine
CID 56745556
2-[4-(pyrrolidin-1-ylmethyl)-2-thienyl]-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-imidazole
CID 56874022
(1-{2-[2-(3-methyl-2-thienyl)-1H-imidazol-1-yl]ethyl}piperidin-2-yl)methanol
CID 56879472
3-{2-[2-(3-methyl-2-thienyl)-1H-imidazol-1-yl]ethyl}-1,3-oxazinan-2-one
CID 56899674
1-isopropyl-4-[2-(3-methyl-2-thienyl)-1H-imidazol-1-yl]pyrrolidin-2-one
CID 70774182
1-(1-ethyl-1H-imidazol-2-yl)-N-methyl-N-[(3-methyl-2-thienyl)methyl]methanamine
CID 50953248
1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-2-(3-methylthiophen-2-yl)imidazole
CID 95215257
N-[2-(dimethylamino)ethyl]-N'-[(1-isopropyl-1H-imidazol-2-yl)methyl]-N-[(3-methyl-2-thienyl)methyl]urea
CID 122558337
1-[(2S)-1-(2-ethylimidazol-1-yl)propan-2-yl]-4-(thiophen-2-ylmethyl)piperazine
CID 164631954
N-[(1-methyl-1H-imidazol-2-yl)methyl]-N-[(3-methyl-2-thienyl)methyl]cyclopentanamine
CID 46992691
(E)-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 52992565

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(3-methylthiophen-2-yl)imidazol-1-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(3-methylthiophen-2-yl)imidazol-1-yl]piperidine-1-carboxylate (CID 56866312) is ethyl 4-[2-(3-methylthiophen-2-yl)imidazol-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(3-methylthiophen-2-yl)imidazol-1-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(3-methylthiophen-2-yl)imidazol-1-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(n2ccnc2-c2sccc2C)CC1.
What is the InChIKey of ethyl 4-[2-(3-methylthiophen-2-yl)imidazol-1-yl]piperidine-1-carboxylate?
The InChIKey is JIWOWTXBMZZLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-3-21-16(20)18-8-4-13(5-9-18)19-10-7-17-15(19)14-12(2)6-11-22-14/h6-7,10-11,13H,3-5,8-9H2,1-2H3.
What are the key properties of ethyl 4-[2-(3-methylthiophen-2-yl)imidazol-1-yl]piperidine-1-carboxylate?
ethyl 4-[2-(3-methylthiophen-2-yl)imidazol-1-yl]piperidine-1-carboxylate has a molecular weight of 319.43 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(3-methylthiophen-2-yl)imidazol-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 56866312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).