2-(4-hydroxypiperidin-1-yl)-N-[6-[[2-(4-hydroxypiperidin-1-yl)acetyl]amino]acridin-3-yl]acetamide;hydrate

C27H35N5O5 — CID 21438217

About 2-(4-hydroxypiperidin-1-yl)-N-[6-[[2-(4-hydroxypiperidin-1-yl)acetyl]amino]acridin-3-yl]acetamide;hydrate

2-(4-hydroxypiperidin-1-yl)-N-[6-[[2-(4-hydroxypiperidin-1-yl)acetyl]amino]acridin-3-yl]acetamide;hydrate (PubChem CID 21438217) has the molecular formula C27H35N5O5 and a molecular weight of 509.61 g/mol. Its IUPAC name is 2-(4-hydroxypiperidin-1-yl)-N-[6-[[2-(4-hydroxypiperidin-1-yl)acetyl]amino]acridin-3-yl]acetamide;hydrate.

Molecular Properties

• Compound Name: 2-(4-hydroxypiperidin-1-yl)-N-[6-[[2-(4-hydroxypiperidin-1-yl)acetyl]amino]acridin-3-yl]acetamide;hydrate
• PubChem CID: 21438217
• Molecular Formula: C27H35N5O5
• Molecular Weight: 509.61 g/mol
• Exact Mass: 509.26
• IUPAC Name: 2-(4-hydroxypiperidin-1-yl)-N-[6-[[2-(4-hydroxypiperidin-1-yl)acetyl]amino]acridin-3-yl]acetamide;hydrate
• SMILES: O.O=C(CN1CCC(O)CC1)Nc1ccc2cc3ccc(NC(=O)CN4CCC(O)CC4)cc3nc2c1
• InChI: InChI=1S/C27H33N5O4.H2O/c33-22-5-9-31(10-6-22)16-26(35)28-20-3-1-18-13-19-2-4-21(15-25(19)30-24(18)14-20)29-27(36)17-32-11-7-23(34)8-12-32;/h1-4,13-15,22-23,33-34H,5-12,16-17H2,(H,28,35)(H,29,36);1H2
• InChIKey: CUYJTJJVOAQERW-UHFFFAOYSA-N
• XLogP: 1.35
• TPSA: 149.53 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.61
LogP ≤ 5	1.35
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxypiperidin-1-yl)-N-[6-[[2-(4-hydroxypiperidin-1-yl)acetyl]amino]acridin-3-yl]acetamide;hydrate?

The IUPAC name of 2-(4-hydroxypiperidin-1-yl)-N-[6-[[2-(4-hydroxypiperidin-1-yl)acetyl]amino]acridin-3-yl]acetamide;hydrate (CID 21438217) is 2-(4-hydroxypiperidin-1-yl)-N-[6-[[2-(4-hydroxypiperidin-1-yl)acetyl]amino]acridin-3-yl]acetamide;hydrate.

What is the SMILES notation for 2-(4-hydroxypiperidin-1-yl)-N-[6-[[2-(4-hydroxypiperidin-1-yl)acetyl]amino]acridin-3-yl]acetamide;hydrate?

The canonical SMILES for 2-(4-hydroxypiperidin-1-yl)-N-[6-[[2-(4-hydroxypiperidin-1-yl)acetyl]amino]acridin-3-yl]acetamide;hydrate is O.O=C(CN1CCC(O)CC1)Nc1ccc2cc3ccc(NC(=O)CN4CCC(O)CC4)cc3nc2c1.

What is the InChIKey of 2-(4-hydroxypiperidin-1-yl)-N-[6-[[2-(4-hydroxypiperidin-1-yl)acetyl]amino]acridin-3-yl]acetamide;hydrate?

The InChIKey is CUYJTJJVOAQERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O4.H2O/c33-22-5-9-31(10-6-22)16-26(35)28-20-3-1-18-13-19-2-4-21(15-25(19)30-24(18)14-20)29-27(36)17-32-11-7-23(34)8-12-32;/h1-4,13-15,22-23,33-34H,5-12,16-17H2,(H,28,35)(H,29,36);1H2.

What are the key properties of 2-(4-hydroxypiperidin-1-yl)-N-[6-[[2-(4-hydroxypiperidin-1-yl)acetyl]amino]acridin-3-yl]acetamide;hydrate?

2-(4-hydroxypiperidin-1-yl)-N-[6-[[2-(4-hydroxypiperidin-1-yl)acetyl]amino]acridin-3-yl]acetamide;hydrate has a molecular weight of 509.61 g/mol, XLogP of 1.35, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-hydroxypiperidin-1-yl)-N-[6-[[2-(4-hydroxypiperidin-1-yl)acetyl]amino]acridin-3-yl]acetamide;hydrate is sourced from PubChem (CID 21438217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).