1-acetyl-N-hydroxy-4-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylpiperidine-4-carboxamide

C25H27N3O6S — CID 11698938

IUPAC1-acetyl-N-hydroxy-4-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylpiperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NO)(S(=O)(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)CC1
InChIInChI=1S/C25H27N3O6S/c1-17-15-19(22-5-3-4-6-23(22)26-17)16-34-20-7-9-21(10-8-20)35(32,33)25(24(30)27-31)11-13-28(14-12-25)18(2)29/h3-10,15,31H,11-14,16H2,1-2H3,(H,27,30)
InChIKeyVOYWXVODQDUTJD-UHFFFAOYSA-N
MW497.57 g/mol
LogP2.78
Rot. Bonds6

About 1-acetyl-N-hydroxy-4-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylpiperidine-4-carboxamide

1-acetyl-N-hydroxy-4-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 11698938) has the molecular formula C25H27N3O6S and a molecular weight of 497.57 g/mol. Its IUPAC name is 1-acetyl-N-hydroxy-4-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-hydroxy-4-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID11698938
Molecular FormulaC25H27N3O6S
Molecular Weight497.57 g/mol
Exact Mass497.16
IUPAC Name1-acetyl-N-hydroxy-4-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylpiperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NO)(S(=O)(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)CC1
InChIInChI=1S/C25H27N3O6S/c1-17-15-19(22-5-3-4-6-23(22)26-17)16-34-20-7-9-21(10-8-20)35(32,33)25(24(30)27-31)11-13-28(14-12-25)18(2)29/h3-10,15,31H,11-14,16H2,1-2H3,(H,27,30)
InChIKeyVOYWXVODQDUTJD-UHFFFAOYSA-N
XLogP2.78
TPSA125.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.57
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-acetyl-N-hydroxy-4-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-hydroxy-4-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylpiperidine-4-carboxamide (CID 11698938) is 1-acetyl-N-hydroxy-4-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-hydroxy-4-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-hydroxy-4-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylpiperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NO)(S(=O)(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)CC1.
What is the InChIKey of 1-acetyl-N-hydroxy-4-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is VOYWXVODQDUTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O6S/c1-17-15-19(22-5-3-4-6-23(22)26-17)16-34-20-7-9-21(10-8-20)35(32,33)25(24(30)27-31)11-13-28(14-12-25)18(2)29/h3-10,15,31H,11-14,16H2,1-2H3,(H,27,30).
What are the key properties of 1-acetyl-N-hydroxy-4-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylpiperidine-4-carboxamide?
1-acetyl-N-hydroxy-4-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 497.57 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-hydroxy-4-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 11698938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).