4-[4-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxythiane-4-carboxamide

C25H37N3O5S2 — CID 20613870

IUPAC4-[4-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxythiane-4-carboxamide
SMILESCC1CC(C)CN(C(=O)C2CCN(c3ccc(S(=O)(=O)C4(C(=O)NO)CCSCC4)cc3)CC2)C1
InChIInChI=1S/C25H37N3O5S2/c1-18-15-19(2)17-28(16-18)23(29)20-7-11-27(12-8-20)21-3-5-22(6-4-21)35(32,33)25(24(30)26-31)9-13-34-14-10-25/h3-6,18-20,31H,7-17H2,1-2H3,(H,26,30)
InChIKeyPCLYONBGSMXMRF-UHFFFAOYSA-N
MW523.72 g/mol
LogP2.95
Rot. Bonds5

About 4-[4-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxythiane-4-carboxamide

4-[4-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxythiane-4-carboxamide (PubChem CID 20613870) has the molecular formula C25H37N3O5S2 and a molecular weight of 523.72 g/mol. Its IUPAC name is 4-[4-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxythiane-4-carboxamide.

Molecular Properties

Compound Name4-[4-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxythiane-4-carboxamide
PubChem CID20613870
Molecular FormulaC25H37N3O5S2
Molecular Weight523.72 g/mol
Exact Mass523.22
IUPAC Name4-[4-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxythiane-4-carboxamide
SMILESCC1CC(C)CN(C(=O)C2CCN(c3ccc(S(=O)(=O)C4(C(=O)NO)CCSCC4)cc3)CC2)C1
InChIInChI=1S/C25H37N3O5S2/c1-18-15-19(2)17-28(16-18)23(29)20-7-11-27(12-8-20)21-3-5-22(6-4-21)35(32,33)25(24(30)26-31)9-13-34-14-10-25/h3-6,18-20,31H,7-17H2,1-2H3,(H,26,30)
InChIKeyPCLYONBGSMXMRF-UHFFFAOYSA-N
XLogP2.95
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.72
LogP ≤ 52.95
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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Related Compounds

4-[4-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 46891522
N-hydroxy-4-[4-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]phenyl]sulfonyloxane-4-carboxamide
CID 46891617
N-hydroxy-4-[4-[4-[4-(2-phenylethyl)piperazine-1-carbonyl]piperidin-1-yl]phenyl]sulfonyloxane-4-carboxamide
CID 46891583
4-[4-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide
CID 22707855
4-[4-[4-(2,4-dimethoxyphenyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 46891358
4-[4-[4-(4-acetylpiperazin-1-yl)phenyl]sulfanylphenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 22985922
N-hydroxy-4-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]sulfonyloxane-4-carboxamide
CID 54582543
N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(4-propylbenzoyl)piperidin-1-yl]phenyl]sulfonylpiperidine-4-carboxamide
CID 10312074
N-hydroxy-4-[4-(4-propylphenoxy)phenyl]sulfonylthiane-4-carboxamide
CID 20735533
N-hydroxy-4-[4-[4-(2-methylphenyl)piperazin-1-yl]phenyl]sulfonyloxane-4-carboxamide
CID 46891108
(3,5-dimethylpiperidin-1-yl)-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone
CID 4110791
9H-fluoren-9-ylmethyl 4-[[4-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]phenoxy]sulfanyl-methylamino]-4-(hydroxycarbamoyl)piperidine-1-carboxylate;sulfane
CID 142247533

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxythiane-4-carboxamide?
The IUPAC name of 4-[4-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxythiane-4-carboxamide (CID 20613870) is 4-[4-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxythiane-4-carboxamide.
What is the SMILES notation for 4-[4-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxythiane-4-carboxamide?
The canonical SMILES for 4-[4-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxythiane-4-carboxamide is CC1CC(C)CN(C(=O)C2CCN(c3ccc(S(=O)(=O)C4(C(=O)NO)CCSCC4)cc3)CC2)C1.
What is the InChIKey of 4-[4-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxythiane-4-carboxamide?
The InChIKey is PCLYONBGSMXMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O5S2/c1-18-15-19(2)17-28(16-18)23(29)20-7-11-27(12-8-20)21-3-5-22(6-4-21)35(32,33)25(24(30)26-31)9-13-34-14-10-25/h3-6,18-20,31H,7-17H2,1-2H3,(H,26,30).
What are the key properties of 4-[4-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxythiane-4-carboxamide?
4-[4-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxythiane-4-carboxamide has a molecular weight of 523.72 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxythiane-4-carboxamide is sourced from PubChem (CID 20613870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).