N-[3-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4-methylphenyl]thiophene-2-carboxamide

C27H28FN3OS — CID 10276428

About N-[3-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4-methylphenyl]thiophene-2-carboxamide

N-[3-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4-methylphenyl]thiophene-2-carboxamide (PubChem CID 10276428) has the molecular formula C27H28FN3OS and a molecular weight of 461.61 g/mol. Its IUPAC name is N-[3-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4-methylphenyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4-methylphenyl]thiophene-2-carboxamide
• PubChem CID: 10276428
• Molecular Formula: C27H28FN3OS
• Molecular Weight: 461.61 g/mol
• Exact Mass: 461.19
• IUPAC Name: N-[3-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4-methylphenyl]thiophene-2-carboxamide
• SMILES: Cc1ccc(NC(=O)c2cccs2)cc1CCN1CCC(c2c[nH]c3ccc(F)cc23)CC1
• InChI: InChI=1S/C27H28FN3OS/c1-18-4-6-22(30-27(32)26-3-2-14-33-26)15-20(18)10-13-31-11-8-19(9-12-31)24-17-29-25-7-5-21(28)16-23(24)25/h2-7,14-17,19,29H,8-13H2,1H3,(H,30,32)
• InChIKey: LIUTZUVIOULSTE-UHFFFAOYSA-N
• XLogP: 6.35
• TPSA: 48.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.61
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4-methylphenyl]thiophene-2-carboxamide?

The IUPAC name of N-[3-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4-methylphenyl]thiophene-2-carboxamide (CID 10276428) is N-[3-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4-methylphenyl]thiophene-2-carboxamide.

What is the SMILES notation for N-[3-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4-methylphenyl]thiophene-2-carboxamide?

The canonical SMILES for N-[3-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4-methylphenyl]thiophene-2-carboxamide is Cc1ccc(NC(=O)c2cccs2)cc1CCN1CCC(c2c[nH]c3ccc(F)cc23)CC1.

What is the InChIKey of N-[3-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4-methylphenyl]thiophene-2-carboxamide?

The InChIKey is LIUTZUVIOULSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN3OS/c1-18-4-6-22(30-27(32)26-3-2-14-33-26)15-20(18)10-13-31-11-8-19(9-12-31)24-17-29-25-7-5-21(28)16-23(24)25/h2-7,14-17,19,29H,8-13H2,1H3,(H,30,32).

What are the key properties of N-[3-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4-methylphenyl]thiophene-2-carboxamide?

N-[3-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4-methylphenyl]thiophene-2-carboxamide has a molecular weight of 461.61 g/mol, XLogP of 6.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4-methylphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 10276428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).