(3R,4S)-1-(2,2-dimethylpropanoyl)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-4-carboxamide

C29H34N4O5 — CID 87907354

About (3R,4S)-1-(2,2-dimethylpropanoyl)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-4-carboxamide

(3R,4S)-1-(2,2-dimethylpropanoyl)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-4-carboxamide (PubChem CID 87907354) has the molecular formula C29H34N4O5 and a molecular weight of 518.61 g/mol. Its IUPAC name is (3R,4S)-1-(2,2-dimethylpropanoyl)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: (3R,4S)-1-(2,2-dimethylpropanoyl)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-4-carboxamide
• PubChem CID: 87907354
• Molecular Formula: C29H34N4O5
• Molecular Weight: 518.61 g/mol
• Exact Mass: 518.25
• IUPAC Name: (3R,4S)-1-(2,2-dimethylpropanoyl)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-4-carboxamide
• SMILES: Cc1cc(COc2ccc(C(=O)N[C@H]3CN(C(=O)C(C)(C)C)CC[C@@H]3C(=O)NO)cc2)c2ccccc2n1
• InChI: InChI=1S/C29H34N4O5/c1-18-15-20(22-7-5-6-8-24(22)30-18)17-38-21-11-9-19(10-12-21)26(34)31-25-16-33(28(36)29(2,3)4)14-13-23(25)27(35)32-37/h5-12,15,23,25,37H,13-14,16-17H2,1-4H3,(H,31,34)(H,32,35)/t23-,25-/m0/s1
• InChIKey: VMPJETPCDVQVKB-ZCYQVOJMSA-N
• XLogP: 3.62
• TPSA: 120.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.61
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

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 (3R,4S)-1-(2,2-dimethylpropanoyl)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-4-carboxamide?

The IUPAC name of (3R,4S)-1-(2,2-dimethylpropanoyl)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-4-carboxamide (CID 87907354) is (3R,4S)-1-(2,2-dimethylpropanoyl)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-4-carboxamide.

What is the SMILES notation for (3R,4S)-1-(2,2-dimethylpropanoyl)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-4-carboxamide?

The canonical SMILES for (3R,4S)-1-(2,2-dimethylpropanoyl)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-4-carboxamide is Cc1cc(COc2ccc(C(=O)N[C@H]3CN(C(=O)C(C)(C)C)CC[C@@H]3C(=O)NO)cc2)c2ccccc2n1.

What is the InChIKey of (3R,4S)-1-(2,2-dimethylpropanoyl)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-4-carboxamide?

The InChIKey is VMPJETPCDVQVKB-ZCYQVOJMSA-N. The full InChI is InChI=1S/C29H34N4O5/c1-18-15-20(22-7-5-6-8-24(22)30-18)17-38-21-11-9-19(10-12-21)26(34)31-25-16-33(28(36)29(2,3)4)14-13-23(25)27(35)32-37/h5-12,15,23,25,37H,13-14,16-17H2,1-4H3,(H,31,34)(H,32,35)/t23-,25-/m0/s1.

What are the key properties of (3R,4S)-1-(2,2-dimethylpropanoyl)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-4-carboxamide?

(3R,4S)-1-(2,2-dimethylpropanoyl)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-4-carboxamide has a molecular weight of 518.61 g/mol, XLogP of 3.62, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4S)-1-(2,2-dimethylpropanoyl)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-4-carboxamide is sourced from PubChem (CID 87907354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).