N-[1-(thiophen-3-ylmethyl)piperidin-3-yl]isoquinolin-5-amine

C₁₉H₂₁N₃S — CID 10358849

About N-[1-(thiophen-3-ylmethyl)piperidin-3-yl]isoquinolin-5-amine

N-[1-(thiophen-3-ylmethyl)piperidin-3-yl]isoquinolin-5-amine (PubChem CID 10358849) has the molecular formula C₁₉H₂₁N₃S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-[1-(thiophen-3-ylmethyl)piperidin-3-yl]isoquinolin-5-amine.

Molecular Properties

• Compound Name: N-[1-(thiophen-3-ylmethyl)piperidin-3-yl]isoquinolin-5-amine
• PubChem CID: 10358849
• Molecular Formula: C₁₉H₂₁N₃S
• Molecular Weight: 323.46 g/mol
• Exact Mass: 323.15
• IUPAC Name: N-[1-(thiophen-3-ylmethyl)piperidin-3-yl]isoquinolin-5-amine
• SMILES: c1cc(NC2CCCN(Cc3ccsc3)C2)c2ccncc2c1
• InChI: InChI=1S/C19H21N3S/c1-3-16-11-20-8-6-18(16)19(5-1)21-17-4-2-9-22(13-17)12-15-7-10-23-14-15/h1,3,5-8,10-11,14,17,21H,2,4,9,12-13H2
• InChIKey: XYMQONYSOMEPSB-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 28.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	323.46
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-(thiophen-3-ylmethyl)piperidin-3-yl]isoquinolin-5-amine?

The IUPAC name of N-[1-(thiophen-3-ylmethyl)piperidin-3-yl]isoquinolin-5-amine (CID 10358849) is N-[1-(thiophen-3-ylmethyl)piperidin-3-yl]isoquinolin-5-amine.

What is the SMILES notation for N-[1-(thiophen-3-ylmethyl)piperidin-3-yl]isoquinolin-5-amine?

The canonical SMILES for N-[1-(thiophen-3-ylmethyl)piperidin-3-yl]isoquinolin-5-amine is c1cc(NC2CCCN(Cc3ccsc3)C2)c2ccncc2c1.

What is the InChIKey of N-[1-(thiophen-3-ylmethyl)piperidin-3-yl]isoquinolin-5-amine?

The InChIKey is XYMQONYSOMEPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3S/c1-3-16-11-20-8-6-18(16)19(5-1)21-17-4-2-9-22(13-17)12-15-7-10-23-14-15/h1,3,5-8,10-11,14,17,21H,2,4,9,12-13H2.

What are the key properties of N-[1-(thiophen-3-ylmethyl)piperidin-3-yl]isoquinolin-5-amine?

N-[1-(thiophen-3-ylmethyl)piperidin-3-yl]isoquinolin-5-amine has a molecular weight of 323.46 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(thiophen-3-ylmethyl)piperidin-3-yl]isoquinolin-5-amine is sourced from PubChem (CID 10358849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 10358849 — identifiers, structure, computed properties (public domain)

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