(2R,3R)-3-N-hydroxy-1-methyl-2-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]piperidine-2,3-dicarboxamide;2,2,2-trifluoroacetic acid

C27H29F3N4O6 — CID 87978056

About (2R,3R)-3-N-hydroxy-1-methyl-2-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]piperidine-2,3-dicarboxamide;2,2,2-trifluoroacetic acid

(2R,3R)-3-N-hydroxy-1-methyl-2-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]piperidine-2,3-dicarboxamide;2,2,2-trifluoroacetic acid (PubChem CID 87978056) has the molecular formula C27H29F3N4O6 and a molecular weight of 562.55 g/mol. Its IUPAC name is (2R,3R)-3-N-hydroxy-1-methyl-2-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]piperidine-2,3-dicarboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: (2R,3R)-3-N-hydroxy-1-methyl-2-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]piperidine-2,3-dicarboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 87978056
• Molecular Formula: C27H29F3N4O6
• Molecular Weight: 562.55 g/mol
• Exact Mass: 562.20
• IUPAC Name: (2R,3R)-3-N-hydroxy-1-methyl-2-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]piperidine-2,3-dicarboxamide;2,2,2-trifluoroacetic acid
• SMILES: Cc1cc(COc2ccc(NC(=O)[C@H]3[C@H](C(=O)NO)CCCN3C)cc2)c2ccccc2n1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C25H28N4O4.C2HF3O2/c1-16-14-17(20-6-3-4-8-22(20)26-16)15-33-19-11-9-18(10-12-19)27-25(31)23-21(24(30)28-32)7-5-13-29(23)2;3-2(4,5)1(6)7/h3-4,6,8-12,14,21,23,32H,5,7,13,15H2,1-2H3,(H,27,31)(H,28,30);(H,6,7)/t21-,23-;/m1./s1
• InChIKey: DYKPWODJEVIGNC-BLDCTAJRSA-N
• XLogP: 3.91
• TPSA: 141.09 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	562.55
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-N-hydroxy-1-methyl-2-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]piperidine-2,3-dicarboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of (2R,3R)-3-N-hydroxy-1-methyl-2-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]piperidine-2,3-dicarboxamide;2,2,2-trifluoroacetic acid (CID 87978056) is (2R,3R)-3-N-hydroxy-1-methyl-2-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]piperidine-2,3-dicarboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for (2R,3R)-3-N-hydroxy-1-methyl-2-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]piperidine-2,3-dicarboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for (2R,3R)-3-N-hydroxy-1-methyl-2-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]piperidine-2,3-dicarboxamide;2,2,2-trifluoroacetic acid is Cc1cc(COc2ccc(NC(=O)[C@H]3[C@H](C(=O)NO)CCCN3C)cc2)c2ccccc2n1.O=C(O)C(F)(F)F.

What is the InChIKey of (2R,3R)-3-N-hydroxy-1-methyl-2-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]piperidine-2,3-dicarboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is DYKPWODJEVIGNC-BLDCTAJRSA-N. The full InChI is InChI=1S/C25H28N4O4.C2HF3O2/c1-16-14-17(20-6-3-4-8-22(20)26-16)15-33-19-11-9-18(10-12-19)27-25(31)23-21(24(30)28-32)7-5-13-29(23)2;3-2(4,5)1(6)7/h3-4,6,8-12,14,21,23,32H,5,7,13,15H2,1-2H3,(H,27,31)(H,28,30);(H,6,7)/t21-,23-;/m1./s1.

What are the key properties of (2R,3R)-3-N-hydroxy-1-methyl-2-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]piperidine-2,3-dicarboxamide;2,2,2-trifluoroacetic acid?

(2R,3R)-3-N-hydroxy-1-methyl-2-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]piperidine-2,3-dicarboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 562.55 g/mol, XLogP of 3.91, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R)-3-N-hydroxy-1-methyl-2-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]piperidine-2,3-dicarboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 87978056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).