methyl 4-methyl-3-[(2-piperidin-1-ylacetyl)amino]thiophene-2-carboxylate

C14H20N2O3S — CID 2807931

IUPACmethyl 4-methyl-3-[(2-piperidin-1-ylacetyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1NC(=O)CN1CCCCC1
InChIInChI=1S/C14H20N2O3S/c1-10-9-20-13(14(18)19-2)12(10)15-11(17)8-16-6-4-3-5-7-16/h9H,3-8H2,1-2H3,(H,15,17)
InChIKeyUVLYGHYFHUWNGS-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.27
Rot. Bonds4

About methyl 4-methyl-3-[(2-piperidin-1-ylacetyl)amino]thiophene-2-carboxylate

methyl 4-methyl-3-[(2-piperidin-1-ylacetyl)amino]thiophene-2-carboxylate (PubChem CID 2807931) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is methyl 4-methyl-3-[(2-piperidin-1-ylacetyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-3-[(2-piperidin-1-ylacetyl)amino]thiophene-2-carboxylate
PubChem CID2807931
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Namemethyl 4-methyl-3-[(2-piperidin-1-ylacetyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1NC(=O)CN1CCCCC1
InChIInChI=1S/C14H20N2O3S/c1-10-9-20-13(14(18)19-2)12(10)15-11(17)8-16-6-4-3-5-7-16/h9H,3-8H2,1-2H3,(H,15,17)
InChIKeyUVLYGHYFHUWNGS-UHFFFAOYSA-N
XLogP2.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-methyl-3-[(2-piperidin-1-ylacetyl)amino]thiophene-2-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-[(2-piperidin-1-ylacetyl)amino]thiophene-2-carboxylate?
The IUPAC name of methyl 4-methyl-3-[(2-piperidin-1-ylacetyl)amino]thiophene-2-carboxylate (CID 2807931) is methyl 4-methyl-3-[(2-piperidin-1-ylacetyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-3-[(2-piperidin-1-ylacetyl)amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 4-methyl-3-[(2-piperidin-1-ylacetyl)amino]thiophene-2-carboxylate is COC(=O)c1scc(C)c1NC(=O)CN1CCCCC1.
What is the InChIKey of methyl 4-methyl-3-[(2-piperidin-1-ylacetyl)amino]thiophene-2-carboxylate?
The InChIKey is UVLYGHYFHUWNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-10-9-20-13(14(18)19-2)12(10)15-11(17)8-16-6-4-3-5-7-16/h9H,3-8H2,1-2H3,(H,15,17).
What are the key properties of methyl 4-methyl-3-[(2-piperidin-1-ylacetyl)amino]thiophene-2-carboxylate?
methyl 4-methyl-3-[(2-piperidin-1-ylacetyl)amino]thiophene-2-carboxylate has a molecular weight of 296.39 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-[(2-piperidin-1-ylacetyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 2807931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).