N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-(furan-2-yl)ethyl]furan-2-carboxamide

C21H23FN3O3+ — CID 7162992

About N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-(furan-2-yl)ethyl]furan-2-carboxamide

N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-(furan-2-yl)ethyl]furan-2-carboxamide (PubChem CID 7162992) has the molecular formula C21H23FN3O3+ and a molecular weight of 384.43 g/mol. Its IUPAC name is N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-(furan-2-yl)ethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-(furan-2-yl)ethyl]furan-2-carboxamide
• PubChem CID: 7162992
• Molecular Formula: C21H23FN3O3+
• Molecular Weight: 384.43 g/mol
• Exact Mass: 384.17
• IUPAC Name: N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-(furan-2-yl)ethyl]furan-2-carboxamide
• SMILES: O=C(NC[C@H](c1ccco1)[NH+]1CCN(c2ccccc2F)CC1)c1ccco1
• InChI: InChI=1S/C21H22FN3O3/c22-16-5-1-2-6-17(16)24-9-11-25(12-10-24)18(19-7-3-13-27-19)15-23-21(26)20-8-4-14-28-20/h1-8,13-14,18H,9-12,15H2,(H,23,26)/p+1/t18-/m1/s1
• InChIKey: CBJFCSYRIYLHSP-GOSISDBHSA-O
• XLogP: 1.89
• TPSA: 63.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.43
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-(furan-2-yl)ethyl]furan-2-carboxamide?

The IUPAC name of N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-(furan-2-yl)ethyl]furan-2-carboxamide (CID 7162992) is N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-(furan-2-yl)ethyl]furan-2-carboxamide.

What is the SMILES notation for N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-(furan-2-yl)ethyl]furan-2-carboxamide?

The canonical SMILES for N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-(furan-2-yl)ethyl]furan-2-carboxamide is O=C(NC[C@H](c1ccco1)[NH+]1CCN(c2ccccc2F)CC1)c1ccco1.

What is the InChIKey of N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-(furan-2-yl)ethyl]furan-2-carboxamide?

The InChIKey is CBJFCSYRIYLHSP-GOSISDBHSA-O. The full InChI is InChI=1S/C21H22FN3O3/c22-16-5-1-2-6-17(16)24-9-11-25(12-10-24)18(19-7-3-13-27-19)15-23-21(26)20-8-4-14-28-20/h1-8,13-14,18H,9-12,15H2,(H,23,26)/p+1/t18-/m1/s1.

What are the key properties of N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-(furan-2-yl)ethyl]furan-2-carboxamide?

N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-(furan-2-yl)ethyl]furan-2-carboxamide has a molecular weight of 384.43 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-(furan-2-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 7162992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).