2-[[(1Z)-buta-1,3-dienyl]amino]-2-(4-fluorophenyl)-N-[3-(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)propyl]-N-methylacetamide

C27H32F2N4O2 — CID 142929917

About 2-[[(1Z)-buta-1,3-dienyl]amino]-2-(4-fluorophenyl)-N-[3-(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)propyl]-N-methylacetamide

2-[[(1Z)-buta-1,3-dienyl]amino]-2-(4-fluorophenyl)-N-[3-(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)propyl]-N-methylacetamide (PubChem CID 142929917) has the molecular formula C27H32F2N4O2 and a molecular weight of 482.58 g/mol. Its IUPAC name is 2-[[(1Z)-buta-1,3-dienyl]amino]-2-(4-fluorophenyl)-N-[3-(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)propyl]-N-methylacetamide.

Molecular Properties

• Compound Name: 2-[[(1Z)-buta-1,3-dienyl]amino]-2-(4-fluorophenyl)-N-[3-(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)propyl]-N-methylacetamide
• PubChem CID: 142929917
• Molecular Formula: C27H32F2N4O2
• Molecular Weight: 482.58 g/mol
• Exact Mass: 482.25
• IUPAC Name: 2-[[(1Z)-buta-1,3-dienyl]amino]-2-(4-fluorophenyl)-N-[3-(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)propyl]-N-methylacetamide
• SMILES: C=C/C=C\NC(C(=O)N(C)CCCN1CCC2(CC1)OCc1cc(F)ncc12)c1ccc(F)cc1
• InChI: InChI=1S/C27H32F2N4O2/c1-3-4-12-30-25(20-6-8-22(28)9-7-20)26(34)32(2)13-5-14-33-15-10-27(11-16-33)23-18-31-24(29)17-21(23)19-35-27/h3-4,6-9,12,17-18,25,30H,1,5,10-11,13-16,19H2,2H3/b12-4-
• InChIKey: GOHSVCWYYPQBHV-QCDXTXTGSA-N
• XLogP: 4.06
• TPSA: 57.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.58
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[(1Z)-buta-1,3-dienyl]amino]-2-(4-fluorophenyl)-N-[3-(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)propyl]-N-methylacetamide?

The IUPAC name of 2-[[(1Z)-buta-1,3-dienyl]amino]-2-(4-fluorophenyl)-N-[3-(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)propyl]-N-methylacetamide (CID 142929917) is 2-[[(1Z)-buta-1,3-dienyl]amino]-2-(4-fluorophenyl)-N-[3-(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)propyl]-N-methylacetamide.

What is the SMILES notation for 2-[[(1Z)-buta-1,3-dienyl]amino]-2-(4-fluorophenyl)-N-[3-(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)propyl]-N-methylacetamide?

The canonical SMILES for 2-[[(1Z)-buta-1,3-dienyl]amino]-2-(4-fluorophenyl)-N-[3-(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)propyl]-N-methylacetamide is C=C/C=C\NC(C(=O)N(C)CCCN1CCC2(CC1)OCc1cc(F)ncc12)c1ccc(F)cc1.

What is the InChIKey of 2-[[(1Z)-buta-1,3-dienyl]amino]-2-(4-fluorophenyl)-N-[3-(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)propyl]-N-methylacetamide?

The InChIKey is GOHSVCWYYPQBHV-QCDXTXTGSA-N. The full InChI is InChI=1S/C27H32F2N4O2/c1-3-4-12-30-25(20-6-8-22(28)9-7-20)26(34)32(2)13-5-14-33-15-10-27(11-16-33)23-18-31-24(29)17-21(23)19-35-27/h3-4,6-9,12,17-18,25,30H,1,5,10-11,13-16,19H2,2H3/b12-4-.

What are the key properties of 2-[[(1Z)-buta-1,3-dienyl]amino]-2-(4-fluorophenyl)-N-[3-(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)propyl]-N-methylacetamide?

2-[[(1Z)-buta-1,3-dienyl]amino]-2-(4-fluorophenyl)-N-[3-(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)propyl]-N-methylacetamide has a molecular weight of 482.58 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(1Z)-buta-1,3-dienyl]amino]-2-(4-fluorophenyl)-N-[3-(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)propyl]-N-methylacetamide is sourced from PubChem (CID 142929917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).