N-[1-(2-methoxyethyl)piperidin-4-yl]thiophene-3-carboxamide

C13H20N2O2S — CID 47549497

IUPACN-[1-(2-methoxyethyl)piperidin-4-yl]thiophene-3-carboxamide
SMILESCOCCN1CCC(NC(=O)c2ccsc2)CC1
InChIInChI=1S/C13H20N2O2S/c1-17-8-7-15-5-2-12(3-6-15)14-13(16)11-4-9-18-10-11/h4,9-10,12H,2-3,5-8H2,1H3,(H,14,16)
InChIKeyFFZUDLSIXIKCOO-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.59
Rot. Bonds5

About N-[1-(2-methoxyethyl)piperidin-4-yl]thiophene-3-carboxamide

N-[1-(2-methoxyethyl)piperidin-4-yl]thiophene-3-carboxamide (PubChem CID 47549497) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)piperidin-4-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)piperidin-4-yl]thiophene-3-carboxamide
PubChem CID47549497
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-[1-(2-methoxyethyl)piperidin-4-yl]thiophene-3-carboxamide
SMILESCOCCN1CCC(NC(=O)c2ccsc2)CC1
InChIInChI=1S/C13H20N2O2S/c1-17-8-7-15-5-2-12(3-6-15)14-13(16)11-4-9-18-10-11/h4,9-10,12H,2-3,5-8H2,1H3,(H,14,16)
InChIKeyFFZUDLSIXIKCOO-UHFFFAOYSA-N
XLogP1.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)piperidin-4-yl]thiophene-3-carboxamide?
The IUPAC name of N-[1-(2-methoxyethyl)piperidin-4-yl]thiophene-3-carboxamide (CID 47549497) is N-[1-(2-methoxyethyl)piperidin-4-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyethyl)piperidin-4-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[1-(2-methoxyethyl)piperidin-4-yl]thiophene-3-carboxamide is COCCN1CCC(NC(=O)c2ccsc2)CC1.
What is the InChIKey of N-[1-(2-methoxyethyl)piperidin-4-yl]thiophene-3-carboxamide?
The InChIKey is FFZUDLSIXIKCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-17-8-7-15-5-2-12(3-6-15)14-13(16)11-4-9-18-10-11/h4,9-10,12H,2-3,5-8H2,1H3,(H,14,16).
What are the key properties of N-[1-(2-methoxyethyl)piperidin-4-yl]thiophene-3-carboxamide?
N-[1-(2-methoxyethyl)piperidin-4-yl]thiophene-3-carboxamide has a molecular weight of 268.38 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)piperidin-4-yl]thiophene-3-carboxamide is sourced from PubChem (CID 47549497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).