N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide

C25H28FN3O4 — CID 1030452

About N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide

N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide (PubChem CID 1030452) has the molecular formula C25H28FN3O4 and a molecular weight of 453.51 g/mol. Its IUPAC name is N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide
• PubChem CID: 1030452
• Molecular Formula: C25H28FN3O4
• Molecular Weight: 453.51 g/mol
• Exact Mass: 453.21
• IUPAC Name: N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide
• SMILES: Cc1cc(C(=O)N(CCC(=O)N2CCN(c3ccccc3F)CC2)Cc2ccco2)c(C)o1
• InChI: InChI=1S/C25H28FN3O4/c1-18-16-21(19(2)33-18)25(31)29(17-20-6-5-15-32-20)10-9-24(30)28-13-11-27(12-14-28)23-8-4-3-7-22(23)26/h3-8,15-16H,9-14,17H2,1-2H3
• InChIKey: GZHKCDDDLPXWEK-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 70.14 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.51
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide?

The IUPAC name of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide (CID 1030452) is N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide.

What is the SMILES notation for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide?

The canonical SMILES for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)N(CCC(=O)N2CCN(c3ccccc3F)CC2)Cc2ccco2)c(C)o1.

What is the InChIKey of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide?

The InChIKey is GZHKCDDDLPXWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O4/c1-18-16-21(19(2)33-18)25(31)29(17-20-6-5-15-32-20)10-9-24(30)28-13-11-27(12-14-28)23-8-4-3-7-22(23)26/h3-8,15-16H,9-14,17H2,1-2H3.

What are the key properties of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide?

N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide has a molecular weight of 453.51 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 1030452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).