4-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]thiophene-2-carboxamide

C17H22N2OS2 — CID 71787070

IUPAC4-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]thiophene-2-carboxamide
SMILESCc1csc(C(=O)NCCN2CCC(c3cccs3)CC2)c1
InChIInChI=1S/C17H22N2OS2/c1-13-11-16(22-12-13)17(20)18-6-9-19-7-4-14(5-8-19)15-3-2-10-21-15/h2-3,10-12,14H,4-9H2,1H3,(H,18,20)
InChIKeyVBUJGHVCSBWREK-UHFFFAOYSA-N
MW334.51 g/mol
LogP3.73
Rot. Bonds5

About 4-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]thiophene-2-carboxamide

4-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]thiophene-2-carboxamide (PubChem CID 71787070) has the molecular formula C17H22N2OS2 and a molecular weight of 334.51 g/mol. Its IUPAC name is 4-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]thiophene-2-carboxamide
PubChem CID71787070
Molecular FormulaC17H22N2OS2
Molecular Weight334.51 g/mol
Exact Mass334.12
IUPAC Name4-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]thiophene-2-carboxamide
SMILESCc1csc(C(=O)NCCN2CCC(c3cccs3)CC2)c1
InChIInChI=1S/C17H22N2OS2/c1-13-11-16(22-12-13)17(20)18-6-9-19-7-4-14(5-8-19)15-3-2-10-21-15/h2-3,10-12,14H,4-9H2,1H3,(H,18,20)
InChIKeyVBUJGHVCSBWREK-UHFFFAOYSA-N
XLogP3.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 4-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]thiophene-2-carboxamide (CID 71787070) is 4-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]thiophene-2-carboxamide is Cc1csc(C(=O)NCCN2CCC(c3cccs3)CC2)c1.
What is the InChIKey of 4-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is VBUJGHVCSBWREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS2/c1-13-11-16(22-12-13)17(20)18-6-9-19-7-4-14(5-8-19)15-3-2-10-21-15/h2-3,10-12,14H,4-9H2,1H3,(H,18,20).
What are the key properties of 4-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]thiophene-2-carboxamide?
4-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 334.51 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 71787070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).