ethyl 4,5-dimethyl-2-[(2-piperidin-1-ylacetyl)amino]thiophene-3-carboxylate

C16H24N2O3S — CID 691671

IUPACethyl 4,5-dimethyl-2-[(2-piperidin-1-ylacetyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CN2CCCCC2)sc(C)c1C
InChIInChI=1S/C16H24N2O3S/c1-4-21-16(20)14-11(2)12(3)22-15(14)17-13(19)10-18-8-6-5-7-9-18/h4-10H2,1-3H3,(H,17,19)
InChIKeyXPFJRZPOBHQMAK-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.97
Rot. Bonds5

About ethyl 4,5-dimethyl-2-[(2-piperidin-1-ylacetyl)amino]thiophene-3-carboxylate

ethyl 4,5-dimethyl-2-[(2-piperidin-1-ylacetyl)amino]thiophene-3-carboxylate (PubChem CID 691671) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is ethyl 4,5-dimethyl-2-[(2-piperidin-1-ylacetyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4,5-dimethyl-2-[(2-piperidin-1-ylacetyl)amino]thiophene-3-carboxylate
PubChem CID691671
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Nameethyl 4,5-dimethyl-2-[(2-piperidin-1-ylacetyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CN2CCCCC2)sc(C)c1C
InChIInChI=1S/C16H24N2O3S/c1-4-21-16(20)14-11(2)12(3)22-15(14)17-13(19)10-18-8-6-5-7-9-18/h4-10H2,1-3H3,(H,17,19)
InChIKeyXPFJRZPOBHQMAK-UHFFFAOYSA-N
XLogP2.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4,5-dimethyl-2-[(2-piperidin-1-ylacetyl)amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 4,5-dimethyl-2-[(2-piperidin-1-ylacetyl)amino]thiophene-3-carboxylate (CID 691671) is ethyl 4,5-dimethyl-2-[(2-piperidin-1-ylacetyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4,5-dimethyl-2-[(2-piperidin-1-ylacetyl)amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 4,5-dimethyl-2-[(2-piperidin-1-ylacetyl)amino]thiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)CN2CCCCC2)sc(C)c1C.
What is the InChIKey of ethyl 4,5-dimethyl-2-[(2-piperidin-1-ylacetyl)amino]thiophene-3-carboxylate?
The InChIKey is XPFJRZPOBHQMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-4-21-16(20)14-11(2)12(3)22-15(14)17-13(19)10-18-8-6-5-7-9-18/h4-10H2,1-3H3,(H,17,19).
What are the key properties of ethyl 4,5-dimethyl-2-[(2-piperidin-1-ylacetyl)amino]thiophene-3-carboxylate?
ethyl 4,5-dimethyl-2-[(2-piperidin-1-ylacetyl)amino]thiophene-3-carboxylate has a molecular weight of 324.45 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,5-dimethyl-2-[(2-piperidin-1-ylacetyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 691671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).