5-(4-fluorophenyl)-N-[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]thiophene-2-carboxamide

C25H25FN2O2S — CID 40863715

About 5-(4-fluorophenyl)-N-[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]thiophene-2-carboxamide

5-(4-fluorophenyl)-N-[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]thiophene-2-carboxamide (PubChem CID 40863715) has the molecular formula C25H25FN2O2S and a molecular weight of 436.55 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-(4-fluorophenyl)-N-[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]thiophene-2-carboxamide
• PubChem CID: 40863715
• Molecular Formula: C25H25FN2O2S
• Molecular Weight: 436.55 g/mol
• Exact Mass: 436.16
• IUPAC Name: 5-(4-fluorophenyl)-N-[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]thiophene-2-carboxamide
• SMILES: CN1CCC2(CC1)C[C@@H](NC(=O)c1ccc(-c3ccc(F)cc3)s1)c1ccccc1O2
• InChI: InChI=1S/C25H25FN2O2S/c1-28-14-12-25(13-15-28)16-20(19-4-2-3-5-21(19)30-25)27-24(29)23-11-10-22(31-23)17-6-8-18(26)9-7-17/h2-11,20H,12-16H2,1H3,(H,27,29)/t20-/m1/s1
• InChIKey: BZMLFEOEKVJLET-HXUWFJFHSA-N
• XLogP: 5.27
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.55
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]thiophene-2-carboxamide?

The IUPAC name of 5-(4-fluorophenyl)-N-[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]thiophene-2-carboxamide (CID 40863715) is 5-(4-fluorophenyl)-N-[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]thiophene-2-carboxamide.

What is the SMILES notation for 5-(4-fluorophenyl)-N-[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]thiophene-2-carboxamide?

The canonical SMILES for 5-(4-fluorophenyl)-N-[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]thiophene-2-carboxamide is CN1CCC2(CC1)C[C@@H](NC(=O)c1ccc(-c3ccc(F)cc3)s1)c1ccccc1O2.

What is the InChIKey of 5-(4-fluorophenyl)-N-[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]thiophene-2-carboxamide?

The InChIKey is BZMLFEOEKVJLET-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H25FN2O2S/c1-28-14-12-25(13-15-28)16-20(19-4-2-3-5-21(19)30-25)27-24(29)23-11-10-22(31-23)17-6-8-18(26)9-7-17/h2-11,20H,12-16H2,1H3,(H,27,29)/t20-/m1/s1.

What are the key properties of 5-(4-fluorophenyl)-N-[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]thiophene-2-carboxamide?

5-(4-fluorophenyl)-N-[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]thiophene-2-carboxamide has a molecular weight of 436.55 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-fluorophenyl)-N-[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 40863715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).