N-hydroxy-4-(4-methoxyphenyl)sulfonyl-1-[(4-pyridin-2-ylphenyl)methyl]piperidine-4-carboxamide

C25H27N3O5S — CID 10277568

IUPACN-hydroxy-4-(4-methoxyphenyl)sulfonyl-1-[(4-pyridin-2-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCN(Cc3ccc(-c4ccccn4)cc3)CC2)cc1
InChIInChI=1S/C25H27N3O5S/c1-33-21-9-11-22(12-10-21)34(31,32)25(24(29)27-30)13-16-28(17-14-25)18-19-5-7-20(8-6-19)23-4-2-3-15-26-23/h2-12,15,30H,13-14,16-18H2,1H3,(H,27,29)
InChIKeyUYOSMJLYSRXRLI-UHFFFAOYSA-N
MW481.57 g/mol
LogP3.07
Rot. Bonds7

About N-hydroxy-4-(4-methoxyphenyl)sulfonyl-1-[(4-pyridin-2-ylphenyl)methyl]piperidine-4-carboxamide

N-hydroxy-4-(4-methoxyphenyl)sulfonyl-1-[(4-pyridin-2-ylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 10277568) has the molecular formula C25H27N3O5S and a molecular weight of 481.57 g/mol. Its IUPAC name is N-hydroxy-4-(4-methoxyphenyl)sulfonyl-1-[(4-pyridin-2-ylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-(4-methoxyphenyl)sulfonyl-1-[(4-pyridin-2-ylphenyl)methyl]piperidine-4-carboxamide
PubChem CID10277568
Molecular FormulaC25H27N3O5S
Molecular Weight481.57 g/mol
Exact Mass481.17
IUPAC NameN-hydroxy-4-(4-methoxyphenyl)sulfonyl-1-[(4-pyridin-2-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCN(Cc3ccc(-c4ccccn4)cc3)CC2)cc1
InChIInChI=1S/C25H27N3O5S/c1-33-21-9-11-22(12-10-21)34(31,32)25(24(29)27-30)13-16-28(17-14-25)18-19-5-7-20(8-6-19)23-4-2-3-15-26-23/h2-12,15,30H,13-14,16-18H2,1H3,(H,27,29)
InChIKeyUYOSMJLYSRXRLI-UHFFFAOYSA-N
XLogP3.07
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 53.07
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 N-hydroxy-4-(4-methoxyphenyl)sulfonyl-1-[(4-pyridin-2-ylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-hydroxy-4-(4-methoxyphenyl)sulfonyl-1-[(4-pyridin-2-ylphenyl)methyl]piperidine-4-carboxamide (CID 10277568) is N-hydroxy-4-(4-methoxyphenyl)sulfonyl-1-[(4-pyridin-2-ylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-(4-methoxyphenyl)sulfonyl-1-[(4-pyridin-2-ylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-hydroxy-4-(4-methoxyphenyl)sulfonyl-1-[(4-pyridin-2-ylphenyl)methyl]piperidine-4-carboxamide is COc1ccc(S(=O)(=O)C2(C(=O)NO)CCN(Cc3ccc(-c4ccccn4)cc3)CC2)cc1.
What is the InChIKey of N-hydroxy-4-(4-methoxyphenyl)sulfonyl-1-[(4-pyridin-2-ylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is UYOSMJLYSRXRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5S/c1-33-21-9-11-22(12-10-21)34(31,32)25(24(29)27-30)13-16-28(17-14-25)18-19-5-7-20(8-6-19)23-4-2-3-15-26-23/h2-12,15,30H,13-14,16-18H2,1H3,(H,27,29).
What are the key properties of N-hydroxy-4-(4-methoxyphenyl)sulfonyl-1-[(4-pyridin-2-ylphenyl)methyl]piperidine-4-carboxamide?
N-hydroxy-4-(4-methoxyphenyl)sulfonyl-1-[(4-pyridin-2-ylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 481.57 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-(4-methoxyphenyl)sulfonyl-1-[(4-pyridin-2-ylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 10277568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).