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

C32H35N3O4 — CID 1030449

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

N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide (PubChem CID 1030449) has the molecular formula C32H35N3O4 and a molecular weight of 525.65 g/mol. Its IUPAC name is N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide
• PubChem CID: 1030449
• Molecular Formula: C32H35N3O4
• Molecular Weight: 525.65 g/mol
• Exact Mass: 525.26
• IUPAC Name: N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide
• SMILES: Cc1cc(C(=O)N(CCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)Cc2ccco2)c(C)o1
• InChI: InChI=1S/C32H35N3O4/c1-24-22-29(25(2)39-24)32(37)35(23-28-14-9-21-38-28)16-15-30(36)33-17-19-34(20-18-33)31(26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-14,21-22,31H,15-20,23H2,1-2H3
• InChIKey: CUCWFBBHYWGOBC-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 70.14 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.65
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide (CID 1030449) is N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide.

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

The canonical SMILES for N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)N(CCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)Cc2ccco2)c(C)o1.

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

The InChIKey is CUCWFBBHYWGOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N3O4/c1-24-22-29(25(2)39-24)32(37)35(23-28-14-9-21-38-28)16-15-30(36)33-17-19-34(20-18-33)31(26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-14,21-22,31H,15-20,23H2,1-2H3.

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

N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide has a molecular weight of 525.65 g/mol, XLogP of 5.46, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 1030449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).