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

C30H36N4O5 — CID 10165477

IUPAC1-(2,2-dimethylpropanoyl)-N-hydroxy-4-[[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]methyl]piperidine-4-carboxamide
SMILESCc1cc(COc2ccc(C(=O)NCC3(C(=O)NO)CCN(C(=O)C(C)(C)C)CC3)cc2)c2ccccc2n1
InChIInChI=1S/C30H36N4O5/c1-20-17-22(24-7-5-6-8-25(24)32-20)18-39-23-11-9-21(10-12-23)26(35)31-19-30(27(36)33-38)13-15-34(16-14-30)28(37)29(2,3)4/h5-12,17,38H,13-16,18-19H2,1-4H3,(H,31,35)(H,33,36)
InChIKeyZVSJOTVLDZPITK-UHFFFAOYSA-N
MW532.64 g/mol
LogP4.01
Rot. Bonds7

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

1-(2,2-dimethylpropanoyl)-N-hydroxy-4-[[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]methyl]piperidine-4-carboxamide (PubChem CID 10165477) has the molecular formula C30H36N4O5 and a molecular weight of 532.64 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-N-hydroxy-4-[[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-N-hydroxy-4-[[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]methyl]piperidine-4-carboxamide
PubChem CID10165477
Molecular FormulaC30H36N4O5
Molecular Weight532.64 g/mol
Exact Mass532.27
IUPAC Name1-(2,2-dimethylpropanoyl)-N-hydroxy-4-[[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]methyl]piperidine-4-carboxamide
SMILESCc1cc(COc2ccc(C(=O)NCC3(C(=O)NO)CCN(C(=O)C(C)(C)C)CC3)cc2)c2ccccc2n1
InChIInChI=1S/C30H36N4O5/c1-20-17-22(24-7-5-6-8-25(24)32-20)18-39-23-11-9-21(10-12-23)26(35)31-19-30(27(36)33-38)13-15-34(16-14-30)28(37)29(2,3)4/h5-12,17,38H,13-16,18-19H2,1-4H3,(H,31,35)(H,33,36)
InChIKeyZVSJOTVLDZPITK-UHFFFAOYSA-N
XLogP4.01
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.64
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-N-hydroxy-4-[[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-N-hydroxy-4-[[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]methyl]piperidine-4-carboxamide (CID 10165477) is 1-(2,2-dimethylpropanoyl)-N-hydroxy-4-[[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-N-hydroxy-4-[[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-N-hydroxy-4-[[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]methyl]piperidine-4-carboxamide is Cc1cc(COc2ccc(C(=O)NCC3(C(=O)NO)CCN(C(=O)C(C)(C)C)CC3)cc2)c2ccccc2n1.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-N-hydroxy-4-[[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]methyl]piperidine-4-carboxamide?
The InChIKey is ZVSJOTVLDZPITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O5/c1-20-17-22(24-7-5-6-8-25(24)32-20)18-39-23-11-9-21(10-12-23)26(35)31-19-30(27(36)33-38)13-15-34(16-14-30)28(37)29(2,3)4/h5-12,17,38H,13-16,18-19H2,1-4H3,(H,31,35)(H,33,36).
What are the key properties of 1-(2,2-dimethylpropanoyl)-N-hydroxy-4-[[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]methyl]piperidine-4-carboxamide?
1-(2,2-dimethylpropanoyl)-N-hydroxy-4-[[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]methyl]piperidine-4-carboxamide has a molecular weight of 532.64 g/mol, XLogP of 4.01, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-N-hydroxy-4-[[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 10165477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).