4-(3-fluoroanilino)-N,N-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-4-carboxamide;formic acid

C20H27FN4O4 — CID 171695910

About 4-(3-fluoroanilino)-N,N-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-4-carboxamide;formic acid

4-(3-fluoroanilino)-N,N-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-4-carboxamide;formic acid (PubChem CID 171695910) has the molecular formula C20H27FN4O4 and a molecular weight of 406.46 g/mol. Its IUPAC name is 4-(3-fluoroanilino)-N,N-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-4-carboxamide;formic acid.

Molecular Properties

• Compound Name: 4-(3-fluoroanilino)-N,N-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-4-carboxamide;formic acid
• PubChem CID: 171695910
• Molecular Formula: C20H27FN4O4
• Molecular Weight: 406.46 g/mol
• Exact Mass: 406.20
• IUPAC Name: 4-(3-fluoroanilino)-N,N-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-4-carboxamide;formic acid
• SMILES: Cc1cc(CN2CCC(Nc3cccc(F)c3)(C(=O)N(C)C)CC2)no1.O=CO
• InChI: InChI=1S/C19H25FN4O2.CH2O2/c1-14-11-17(22-26-14)13-24-9-7-19(8-10-24,18(25)23(2)3)21-16-6-4-5-15(20)12-16;2-1-3/h4-6,11-12,21H,7-10,13H2,1-3H3;1H,(H,2,3)
• InChIKey: PQJBSNGRWATSGM-UHFFFAOYSA-N
• XLogP: 2.36
• TPSA: 98.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.46
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoroanilino)-N,N-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-4-carboxamide;formic acid?

The IUPAC name of 4-(3-fluoroanilino)-N,N-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-4-carboxamide;formic acid (CID 171695910) is 4-(3-fluoroanilino)-N,N-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-4-carboxamide;formic acid.

What is the SMILES notation for 4-(3-fluoroanilino)-N,N-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-4-carboxamide;formic acid?

The canonical SMILES for 4-(3-fluoroanilino)-N,N-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-4-carboxamide;formic acid is Cc1cc(CN2CCC(Nc3cccc(F)c3)(C(=O)N(C)C)CC2)no1.O=CO.

What is the InChIKey of 4-(3-fluoroanilino)-N,N-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-4-carboxamide;formic acid?

The InChIKey is PQJBSNGRWATSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O2.CH2O2/c1-14-11-17(22-26-14)13-24-9-7-19(8-10-24,18(25)23(2)3)21-16-6-4-5-15(20)12-16;2-1-3/h4-6,11-12,21H,7-10,13H2,1-3H3;1H,(H,2,3).

What are the key properties of 4-(3-fluoroanilino)-N,N-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-4-carboxamide;formic acid?

4-(3-fluoroanilino)-N,N-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-4-carboxamide;formic acid has a molecular weight of 406.46 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-fluoroanilino)-N,N-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-4-carboxamide;formic acid is sourced from PubChem (CID 171695910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).