methyl 4-[[(1-methylpiperidin-4-yl)-(pyridin-4-ylmethyl)amino]methyl]thiophene-2-carboxylate

C19H25N3O2S — CID 56916882

IUPACmethyl 4-[[(1-methylpiperidin-4-yl)-(pyridin-4-ylmethyl)amino]methyl]thiophene-2-carboxylate
SMILESCOC(=O)c1cc(CN(Cc2ccncc2)C2CCN(C)CC2)cs1
InChIInChI=1S/C19H25N3O2S/c1-21-9-5-17(6-10-21)22(12-15-3-7-20-8-4-15)13-16-11-18(25-14-16)19(23)24-2/h3-4,7-8,11,14,17H,5-6,9-10,12-13H2,1-2H3
InChIKeyWNUMCMZJCAJNBN-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.03
Rot. Bonds6

About methyl 4-[[(1-methylpiperidin-4-yl)-(pyridin-4-ylmethyl)amino]methyl]thiophene-2-carboxylate

methyl 4-[[(1-methylpiperidin-4-yl)-(pyridin-4-ylmethyl)amino]methyl]thiophene-2-carboxylate (PubChem CID 56916882) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is methyl 4-[[(1-methylpiperidin-4-yl)-(pyridin-4-ylmethyl)amino]methyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[(1-methylpiperidin-4-yl)-(pyridin-4-ylmethyl)amino]methyl]thiophene-2-carboxylate
PubChem CID56916882
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Namemethyl 4-[[(1-methylpiperidin-4-yl)-(pyridin-4-ylmethyl)amino]methyl]thiophene-2-carboxylate
SMILESCOC(=O)c1cc(CN(Cc2ccncc2)C2CCN(C)CC2)cs1
InChIInChI=1S/C19H25N3O2S/c1-21-9-5-17(6-10-21)22(12-15-3-7-20-8-4-15)13-16-11-18(25-14-16)19(23)24-2/h3-4,7-8,11,14,17H,5-6,9-10,12-13H2,1-2H3
InChIKeyWNUMCMZJCAJNBN-UHFFFAOYSA-N
XLogP3.03
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[(1-methylpiperidin-4-yl)-(pyridin-4-ylmethyl)amino]methyl]thiophene-2-carboxylate with MolForge

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Related Compounds

Methyl 5-methyl-2-[(3-pyridinylcarbonyl)amino]-3-thiophenecarboxylate
CID 1245092
2-Thiophenecarboxylic acid [3-(4-methoxy-4-oxobutyl)-7-methyl-6,8-dioxo-2-[2-(2-pyridinyl)ethyl]-7-isoquinolinyl] ester
CID 16745597
N'-[(thiophen-2-ylcarbonyl)oxy]pyridine-3-carboximidamide
CID 9566912
Methyl 3-[(3-pyridinylcarbonyl)amino]-2-thiophenecarboxylate
CID 2169547
Methyl 3-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]sulfonylthiophene-2-carboxylate
CID 24817068
Methyl 3-(2-(pyridin-4-yl)acetamido)thiophene-2-carboxylate
CID 43623574
Methyl 5-tert-butyl-3-(pyridin-2-ylsulfanylmethyl)thiophene-2-carboxylate
CID 2739080
ethyl 6-acetyl-2-(pyridine-3-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 44288227
Methyl 6-thiophen-3-ylpyridine-3-carboxylate
CID 155679166
Nicotinic acid, 2-((3-pyridylmethyl)thio)ethyl ester
CID 59186
Methyl thieno[3,2-c]pyridine-2-carboxylate
CID 22047666
Pyridin-3-ylmethyl thiophene-2-carboxylate
CID 16204321

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(1-methylpiperidin-4-yl)-(pyridin-4-ylmethyl)amino]methyl]thiophene-2-carboxylate?
The IUPAC name of methyl 4-[[(1-methylpiperidin-4-yl)-(pyridin-4-ylmethyl)amino]methyl]thiophene-2-carboxylate (CID 56916882) is methyl 4-[[(1-methylpiperidin-4-yl)-(pyridin-4-ylmethyl)amino]methyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-[[(1-methylpiperidin-4-yl)-(pyridin-4-ylmethyl)amino]methyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 4-[[(1-methylpiperidin-4-yl)-(pyridin-4-ylmethyl)amino]methyl]thiophene-2-carboxylate is COC(=O)c1cc(CN(Cc2ccncc2)C2CCN(C)CC2)cs1.
What is the InChIKey of methyl 4-[[(1-methylpiperidin-4-yl)-(pyridin-4-ylmethyl)amino]methyl]thiophene-2-carboxylate?
The InChIKey is WNUMCMZJCAJNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-21-9-5-17(6-10-21)22(12-15-3-7-20-8-4-15)13-16-11-18(25-14-16)19(23)24-2/h3-4,7-8,11,14,17H,5-6,9-10,12-13H2,1-2H3.
What are the key properties of methyl 4-[[(1-methylpiperidin-4-yl)-(pyridin-4-ylmethyl)amino]methyl]thiophene-2-carboxylate?
methyl 4-[[(1-methylpiperidin-4-yl)-(pyridin-4-ylmethyl)amino]methyl]thiophene-2-carboxylate has a molecular weight of 359.50 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(1-methylpiperidin-4-yl)-(pyridin-4-ylmethyl)amino]methyl]thiophene-2-carboxylate is sourced from PubChem (CID 56916882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).