methyl 5-[1-(1-tert-butylpiperidin-4-ylidene)propyl]-4-methylthiophene-3-carboxylate

C19H29NO2S — CID 157104482

IUPACmethyl 5-[1-(1-tert-butylpiperidin-4-ylidene)propyl]-4-methylthiophene-3-carboxylate
SMILESCCC(=C1CCN(C(C)(C)C)CC1)c1scc(C(=O)OC)c1C
InChIInChI=1S/C19H29NO2S/c1-7-15(14-8-10-20(11-9-14)19(3,4)5)17-13(2)16(12-23-17)18(21)22-6/h12H,7-11H2,1-6H3
InChIKeyAGDKCEDJKKMVAZ-UHFFFAOYSA-N
MW335.51 g/mol
LogP4.90
Rot. Bonds3

About methyl 5-[1-(1-tert-butylpiperidin-4-ylidene)propyl]-4-methylthiophene-3-carboxylate

methyl 5-[1-(1-tert-butylpiperidin-4-ylidene)propyl]-4-methylthiophene-3-carboxylate (PubChem CID 157104482) has the molecular formula C19H29NO2S and a molecular weight of 335.51 g/mol. Its IUPAC name is methyl 5-[1-(1-tert-butylpiperidin-4-ylidene)propyl]-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-(1-tert-butylpiperidin-4-ylidene)propyl]-4-methylthiophene-3-carboxylate
PubChem CID157104482
Molecular FormulaC19H29NO2S
Molecular Weight335.51 g/mol
Exact Mass335.19
IUPAC Namemethyl 5-[1-(1-tert-butylpiperidin-4-ylidene)propyl]-4-methylthiophene-3-carboxylate
SMILESCCC(=C1CCN(C(C)(C)C)CC1)c1scc(C(=O)OC)c1C
InChIInChI=1S/C19H29NO2S/c1-7-15(14-8-10-20(11-9-14)19(3,4)5)17-13(2)16(12-23-17)18(21)22-6/h12H,7-11H2,1-6H3
InChIKeyAGDKCEDJKKMVAZ-UHFFFAOYSA-N
XLogP4.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.51
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-methyl-5-[1-(4-oxocyclohexylidene)propyl]thiophene-3-carboxylate
CID 121305287
methyl 5-[1-(4-hydroxy-4-methoxycyclohexylidene)propyl]-4-methylthiophene-3-carboxylate
CID 145071529
methyl 5-[1-(1-benzoyloxypiperidin-4-ylidene)propyl]-4-methylthiophene-3-carboxylate
CID 121305227
methyl 5-[2-(1-tert-butylpiperidin-4-yl)ethyl]-4-methylthiophene-3-carboxylate
CID 121305291
dimethyl 3-methylthiophene-2,4-dicarboxylate
CID 673684
methyl 5-[1-(2,2-dimethylpropanoyloxy)piperidine-4-carbonyl]-4-methylthiophene-3-carboxylate
CID 174782920
tert-butyl 4-[1-(4-methoxycarbonyl-3-methylthiophen-2-yl)ethenyl]piperidine-1-carboxylate
CID 121314985
tert-butyl 4-[1-(4-methoxycarbonyl-3-methylthiophen-2-yl)prop-1-enyl]piperidine-1-carboxylate
CID 123447566
methyl 5-[(1R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]ethyl]-4-methylthiophene-3-carboxylate
CID 121314951
methyl 4-methyl-5-(5-morpholin-4-ylpent-2-en-3-yl)thiophene-3-carboxylate
CID 123337673
tert-butyl carbamate;methyl 5-(cyclohexanecarbonyl)-4-methylthiophene-3-carboxylate
CID 144740528
methyl 4-methyl-5-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]thiophene-3-carboxylate
CID 75400918

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-(1-tert-butylpiperidin-4-ylidene)propyl]-4-methylthiophene-3-carboxylate?
The IUPAC name of methyl 5-[1-(1-tert-butylpiperidin-4-ylidene)propyl]-4-methylthiophene-3-carboxylate (CID 157104482) is methyl 5-[1-(1-tert-butylpiperidin-4-ylidene)propyl]-4-methylthiophene-3-carboxylate.
What is the SMILES notation for methyl 5-[1-(1-tert-butylpiperidin-4-ylidene)propyl]-4-methylthiophene-3-carboxylate?
The canonical SMILES for methyl 5-[1-(1-tert-butylpiperidin-4-ylidene)propyl]-4-methylthiophene-3-carboxylate is CCC(=C1CCN(C(C)(C)C)CC1)c1scc(C(=O)OC)c1C.
What is the InChIKey of methyl 5-[1-(1-tert-butylpiperidin-4-ylidene)propyl]-4-methylthiophene-3-carboxylate?
The InChIKey is AGDKCEDJKKMVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2S/c1-7-15(14-8-10-20(11-9-14)19(3,4)5)17-13(2)16(12-23-17)18(21)22-6/h12H,7-11H2,1-6H3.
What are the key properties of methyl 5-[1-(1-tert-butylpiperidin-4-ylidene)propyl]-4-methylthiophene-3-carboxylate?
methyl 5-[1-(1-tert-butylpiperidin-4-ylidene)propyl]-4-methylthiophene-3-carboxylate has a molecular weight of 335.51 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-(1-tert-butylpiperidin-4-ylidene)propyl]-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 157104482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).