4-ethyl-N-(1-methylpiperidin-4-yl)-5-propylthiophene-2-carboxamide

C16H26N2OS — CID 47114418

IUPAC4-ethyl-N-(1-methylpiperidin-4-yl)-5-propylthiophene-2-carboxamide
SMILESCCCc1sc(C(=O)NC2CCN(C)CC2)cc1CC
InChIInChI=1S/C16H26N2OS/c1-4-6-14-12(5-2)11-15(20-14)16(19)17-13-7-9-18(3)10-8-13/h11,13H,4-10H2,1-3H3,(H,17,19)
InChIKeyLZXHXWBTNRLRQJ-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.09
Rot. Bonds5

About 4-ethyl-N-(1-methylpiperidin-4-yl)-5-propylthiophene-2-carboxamide

4-ethyl-N-(1-methylpiperidin-4-yl)-5-propylthiophene-2-carboxamide (PubChem CID 47114418) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 4-ethyl-N-(1-methylpiperidin-4-yl)-5-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(1-methylpiperidin-4-yl)-5-propylthiophene-2-carboxamide
PubChem CID47114418
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name4-ethyl-N-(1-methylpiperidin-4-yl)-5-propylthiophene-2-carboxamide
SMILESCCCc1sc(C(=O)NC2CCN(C)CC2)cc1CC
InChIInChI=1S/C16H26N2OS/c1-4-6-14-12(5-2)11-15(20-14)16(19)17-13-7-9-18(3)10-8-13/h11,13H,4-10H2,1-3H3,(H,17,19)
InChIKeyLZXHXWBTNRLRQJ-UHFFFAOYSA-N
XLogP3.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(1-methylpiperidin-4-yl)-5-propylthiophene-2-carboxamide?
The IUPAC name of 4-ethyl-N-(1-methylpiperidin-4-yl)-5-propylthiophene-2-carboxamide (CID 47114418) is 4-ethyl-N-(1-methylpiperidin-4-yl)-5-propylthiophene-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-(1-methylpiperidin-4-yl)-5-propylthiophene-2-carboxamide?
The canonical SMILES for 4-ethyl-N-(1-methylpiperidin-4-yl)-5-propylthiophene-2-carboxamide is CCCc1sc(C(=O)NC2CCN(C)CC2)cc1CC.
What is the InChIKey of 4-ethyl-N-(1-methylpiperidin-4-yl)-5-propylthiophene-2-carboxamide?
The InChIKey is LZXHXWBTNRLRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-4-6-14-12(5-2)11-15(20-14)16(19)17-13-7-9-18(3)10-8-13/h11,13H,4-10H2,1-3H3,(H,17,19).
What are the key properties of 4-ethyl-N-(1-methylpiperidin-4-yl)-5-propylthiophene-2-carboxamide?
4-ethyl-N-(1-methylpiperidin-4-yl)-5-propylthiophene-2-carboxamide has a molecular weight of 294.46 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(1-methylpiperidin-4-yl)-5-propylthiophene-2-carboxamide is sourced from PubChem (CID 47114418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).