2-amino-3-(3,5-dibromo-4-hydroxyphenyl)-N-[1-oxo-3-piperidin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]propanamide;4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carbaldehyde

C41H50Br2N8O5 — CID 142441114

About 2-amino-3-(3,5-dibromo-4-hydroxyphenyl)-N-[1-oxo-3-piperidin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]propanamide;4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carbaldehyde

2-amino-3-(3,5-dibromo-4-hydroxyphenyl)-N-[1-oxo-3-piperidin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]propanamide;4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carbaldehyde (PubChem CID 142441114) has the molecular formula C41H50Br2N8O5 and a molecular weight of 894.71 g/mol. Its IUPAC name is 2-amino-3-(3,5-dibromo-4-hydroxyphenyl)-N-[1-oxo-3-piperidin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]propanamide;4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carbaldehyde.

Molecular Properties

• Compound Name: 2-amino-3-(3,5-dibromo-4-hydroxyphenyl)-N-[1-oxo-3-piperidin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]propanamide;4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carbaldehyde
• PubChem CID: 142441114
• Molecular Formula: C41H50Br2N8O5
• Molecular Weight: 894.71 g/mol
• Exact Mass: 892.23
• IUPAC Name: 2-amino-3-(3,5-dibromo-4-hydroxyphenyl)-N-[1-oxo-3-piperidin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]propanamide;4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carbaldehyde
• SMILES: NC(Cc1cc(Br)c(O)c(Br)c1)C(=O)NC(CC1CCNCC1)C(=O)N1CCN(c2ccncc2)CC1.O=CN1CCC(c2cc3ccccc3[nH]c2=O)CC1
• InChI: InChI=1S/C26H34Br2N6O3.C15H16N2O2/c27-20-13-18(14-21(28)24(20)35)15-22(29)25(36)32-23(16-17-1-5-30-6-2-17)26(37)34-11-9-33(10-12-34)19-3-7-31-8-4-19;18-10-17-7-5-11(6-8-17)13-9-12-3-1-2-4-14(12)16-15(13)19/h3-4,7-8,13-14,17,22-23,30,35H,1-2,5-6,9-12,15-16,29H2,(H,32,36);1-4,9-11H,5-8H2,(H,16,19)
• InChIKey: FZXVCCQMQMMXTC-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 176.99 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	894.71
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3,5-dibromo-4-hydroxyphenyl)-N-[1-oxo-3-piperidin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]propanamide;4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carbaldehyde?

The IUPAC name of 2-amino-3-(3,5-dibromo-4-hydroxyphenyl)-N-[1-oxo-3-piperidin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]propanamide;4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carbaldehyde (CID 142441114) is 2-amino-3-(3,5-dibromo-4-hydroxyphenyl)-N-[1-oxo-3-piperidin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]propanamide;4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carbaldehyde.

What is the SMILES notation for 2-amino-3-(3,5-dibromo-4-hydroxyphenyl)-N-[1-oxo-3-piperidin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]propanamide;4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carbaldehyde?

The canonical SMILES for 2-amino-3-(3,5-dibromo-4-hydroxyphenyl)-N-[1-oxo-3-piperidin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]propanamide;4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carbaldehyde is NC(Cc1cc(Br)c(O)c(Br)c1)C(=O)NC(CC1CCNCC1)C(=O)N1CCN(c2ccncc2)CC1.O=CN1CCC(c2cc3ccccc3[nH]c2=O)CC1.

What is the InChIKey of 2-amino-3-(3,5-dibromo-4-hydroxyphenyl)-N-[1-oxo-3-piperidin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]propanamide;4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carbaldehyde?

The InChIKey is FZXVCCQMQMMXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34Br2N6O3.C15H16N2O2/c27-20-13-18(14-21(28)24(20)35)15-22(29)25(36)32-23(16-17-1-5-30-6-2-17)26(37)34-11-9-33(10-12-34)19-3-7-31-8-4-19;18-10-17-7-5-11(6-8-17)13-9-12-3-1-2-4-14(12)16-15(13)19/h3-4,7-8,13-14,17,22-23,30,35H,1-2,5-6,9-12,15-16,29H2,(H,32,36);1-4,9-11H,5-8H2,(H,16,19).

What are the key properties of 2-amino-3-(3,5-dibromo-4-hydroxyphenyl)-N-[1-oxo-3-piperidin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]propanamide;4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carbaldehyde?

2-amino-3-(3,5-dibromo-4-hydroxyphenyl)-N-[1-oxo-3-piperidin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]propanamide;4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carbaldehyde has a molecular weight of 894.71 g/mol, XLogP of 4.27, 10 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-3-(3,5-dibromo-4-hydroxyphenyl)-N-[1-oxo-3-piperidin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]propanamide;4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carbaldehyde is sourced from PubChem (CID 142441114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).