N-(4-fluorophenyl)-1-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide

C23H30FN3O2 — CID 46956838

About N-(4-fluorophenyl)-1-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide

N-(4-fluorophenyl)-1-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide (PubChem CID 46956838) has the molecular formula C23H30FN3O2 and a molecular weight of 399.51 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(4-fluorophenyl)-1-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide
• PubChem CID: 46956838
• Molecular Formula: C23H30FN3O2
• Molecular Weight: 399.51 g/mol
• Exact Mass: 399.23
• IUPAC Name: N-(4-fluorophenyl)-1-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide
• SMILES: Cc1ccc(CN2CCC(C3CC(C(=O)Nc4ccc(F)cc4)CN3C)CC2)o1
• InChI: InChI=1S/C23H30FN3O2/c1-16-3-8-21(29-16)15-27-11-9-17(10-12-27)22-13-18(14-26(22)2)23(28)25-20-6-4-19(24)5-7-20/h3-8,17-18,22H,9-15H2,1-2H3,(H,25,28)
• InChIKey: LTQUXMGWIFTPDE-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 48.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.51
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide?

The IUPAC name of N-(4-fluorophenyl)-1-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide (CID 46956838) is N-(4-fluorophenyl)-1-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide.

What is the SMILES notation for N-(4-fluorophenyl)-1-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide?

The canonical SMILES for N-(4-fluorophenyl)-1-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide is Cc1ccc(CN2CCC(C3CC(C(=O)Nc4ccc(F)cc4)CN3C)CC2)o1.

What is the InChIKey of N-(4-fluorophenyl)-1-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide?

The InChIKey is LTQUXMGWIFTPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O2/c1-16-3-8-21(29-16)15-27-11-9-17(10-12-27)22-13-18(14-26(22)2)23(28)25-20-6-4-19(24)5-7-20/h3-8,17-18,22H,9-15H2,1-2H3,(H,25,28).

What are the key properties of N-(4-fluorophenyl)-1-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide?

N-(4-fluorophenyl)-1-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide has a molecular weight of 399.51 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-fluorophenyl)-1-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 46956838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).