N-[[1-[[5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]furan-2-yl]methyl]pyrrol-2-yl]methyl]-N-propylfuran-2-carboxamide

C32H36N4O4 — CID 42787167

About N-[[1-[[5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]furan-2-yl]methyl]pyrrol-2-yl]methyl]-N-propylfuran-2-carboxamide

N-[[1-[[5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]furan-2-yl]methyl]pyrrol-2-yl]methyl]-N-propylfuran-2-carboxamide (PubChem CID 42787167) has the molecular formula C32H36N4O4 and a molecular weight of 540.66 g/mol. Its IUPAC name is N-[[1-[[5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]furan-2-yl]methyl]pyrrol-2-yl]methyl]-N-propylfuran-2-carboxamide.

Molecular Properties

• Compound Name: N-[[1-[[5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]furan-2-yl]methyl]pyrrol-2-yl]methyl]-N-propylfuran-2-carboxamide
• PubChem CID: 42787167
• Molecular Formula: C32H36N4O4
• Molecular Weight: 540.66 g/mol
• Exact Mass: 540.27
• IUPAC Name: N-[[1-[[5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]furan-2-yl]methyl]pyrrol-2-yl]methyl]-N-propylfuran-2-carboxamide
• SMILES: CCCN(Cc1cccn1Cc1ccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)o1)C(=O)c1ccco1
• InChI: InChI=1S/C32H36N4O4/c1-2-16-36(31(37)29-13-8-23-39-29)24-27-12-7-18-35(27)25-28-14-15-30(40-28)32(38)34-21-19-33(20-22-34)17-6-11-26-9-4-3-5-10-26/h3-15,18,23H,2,16-17,19-22,24-25H2,1H3/b11-6+
• InChIKey: DZQPNMUWKFXNOG-IZZDOVSWSA-N
• XLogP: 5.25
• TPSA: 75.07 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	540.66
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]furan-2-yl]methyl]pyrrol-2-yl]methyl]-N-propylfuran-2-carboxamide?

The IUPAC name of N-[[1-[[5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]furan-2-yl]methyl]pyrrol-2-yl]methyl]-N-propylfuran-2-carboxamide (CID 42787167) is N-[[1-[[5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]furan-2-yl]methyl]pyrrol-2-yl]methyl]-N-propylfuran-2-carboxamide.

What is the SMILES notation for N-[[1-[[5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]furan-2-yl]methyl]pyrrol-2-yl]methyl]-N-propylfuran-2-carboxamide?

The canonical SMILES for N-[[1-[[5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]furan-2-yl]methyl]pyrrol-2-yl]methyl]-N-propylfuran-2-carboxamide is CCCN(Cc1cccn1Cc1ccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)o1)C(=O)c1ccco1.

What is the InChIKey of N-[[1-[[5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]furan-2-yl]methyl]pyrrol-2-yl]methyl]-N-propylfuran-2-carboxamide?

The InChIKey is DZQPNMUWKFXNOG-IZZDOVSWSA-N. The full InChI is InChI=1S/C32H36N4O4/c1-2-16-36(31(37)29-13-8-23-39-29)24-27-12-7-18-35(27)25-28-14-15-30(40-28)32(38)34-21-19-33(20-22-34)17-6-11-26-9-4-3-5-10-26/h3-15,18,23H,2,16-17,19-22,24-25H2,1H3/b11-6+.

What are the key properties of N-[[1-[[5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]furan-2-yl]methyl]pyrrol-2-yl]methyl]-N-propylfuran-2-carboxamide?

N-[[1-[[5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]furan-2-yl]methyl]pyrrol-2-yl]methyl]-N-propylfuran-2-carboxamide has a molecular weight of 540.66 g/mol, XLogP of 5.25, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-[[5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]furan-2-yl]methyl]pyrrol-2-yl]methyl]-N-propylfuran-2-carboxamide is sourced from PubChem (CID 42787167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).