N-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide

C27H27FN4O2S — CID 134303579

About N-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide

N-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide (PubChem CID 134303579) has the molecular formula C27H27FN4O2S and a molecular weight of 490.60 g/mol. Its IUPAC name is N-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide
• PubChem CID: 134303579
• Molecular Formula: C27H27FN4O2S
• Molecular Weight: 490.60 g/mol
• Exact Mass: 490.18
• IUPAC Name: N-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide
• SMILES: Cc1ncsc1C(CNC(=O)c1cccc2ncccc12)N1CCC(Oc2cccc(F)c2)CC1
• InChI: InChI=1S/C27H27FN4O2S/c1-18-26(35-17-31-18)25(16-30-27(33)23-7-3-9-24-22(23)8-4-12-29-24)32-13-10-20(11-14-32)34-21-6-2-5-19(28)15-21/h2-9,12,15,17,20,25H,10-11,13-14,16H2,1H3,(H,30,33)
• InChIKey: NIFIAAPAJMMCML-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.60
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide?

The IUPAC name of N-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide (CID 134303579) is N-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide.

What is the SMILES notation for N-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide?

The canonical SMILES for N-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide is Cc1ncsc1C(CNC(=O)c1cccc2ncccc12)N1CCC(Oc2cccc(F)c2)CC1.

What is the InChIKey of N-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide?

The InChIKey is NIFIAAPAJMMCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN4O2S/c1-18-26(35-17-31-18)25(16-30-27(33)23-7-3-9-24-22(23)8-4-12-29-24)32-13-10-20(11-14-32)34-21-6-2-5-19(28)15-21/h2-9,12,15,17,20,25H,10-11,13-14,16H2,1H3,(H,30,33).

What are the key properties of N-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide?

N-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide has a molecular weight of 490.60 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide is sourced from PubChem (CID 134303579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).