N-hydroxy-4-[4-(5-phenylmethoxy-2-pyridinyl)piperidin-1-yl]sulfonyloxane-4-carboxamide

C23H29N3O6S — CID 10390189

IUPACN-hydroxy-4-[4-(5-phenylmethoxy-2-pyridinyl)piperidin-1-yl]sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)N2CCC(c3ccc(OCc4ccccc4)cn3)CC2)CCOCC1
InChIInChI=1S/C23H29N3O6S/c27-22(25-28)23(10-14-31-15-11-23)33(29,30)26-12-8-19(9-13-26)21-7-6-20(16-24-21)32-17-18-4-2-1-3-5-18/h1-7,16,19,28H,8-15,17H2,(H,25,27)
InChIKeyDGCYVDNAHQKIFG-UHFFFAOYSA-N
MW475.57 g/mol
LogP2.22
Rot. Bonds7

About N-hydroxy-4-[4-(5-phenylmethoxy-2-pyridinyl)piperidin-1-yl]sulfonyloxane-4-carboxamide

N-hydroxy-4-[4-(5-phenylmethoxy-2-pyridinyl)piperidin-1-yl]sulfonyloxane-4-carboxamide (PubChem CID 10390189) has the molecular formula C23H29N3O6S and a molecular weight of 475.57 g/mol. Its IUPAC name is N-hydroxy-4-[4-(5-phenylmethoxy-2-pyridinyl)piperidin-1-yl]sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-(5-phenylmethoxy-2-pyridinyl)piperidin-1-yl]sulfonyloxane-4-carboxamide
PubChem CID10390189
Molecular FormulaC23H29N3O6S
Molecular Weight475.57 g/mol
Exact Mass475.18
IUPAC NameN-hydroxy-4-[4-(5-phenylmethoxy-2-pyridinyl)piperidin-1-yl]sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)N2CCC(c3ccc(OCc4ccccc4)cn3)CC2)CCOCC1
InChIInChI=1S/C23H29N3O6S/c27-22(25-28)23(10-14-31-15-11-23)33(29,30)26-12-8-19(9-13-26)21-7-6-20(16-24-21)32-17-18-4-2-1-3-5-18/h1-7,16,19,28H,8-15,17H2,(H,25,27)
InChIKeyDGCYVDNAHQKIFG-UHFFFAOYSA-N
XLogP2.22
TPSA118.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 52.22
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-(Pyridin-3-yloxy)-benzenesulfonylamino]-tetrahydro-pyran-4-carboxylic acid hydroxyamide
CID 44342308
N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(pyridin-2-ylmethoxy)phenyl]butanamide
CID 51355579
N-hydroxy-2-methyl-4-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]-2-methylsulfonylbutanamide
CID 91663372
N-hydroxy-2-methyl-4-[4-[(6-methyl-3-pyridinyl)methoxy]phenyl]-2-methylsulfonylbutanamide
CID 91663396
N-hydroxy-2-methyl-4-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]-2-methylsulfonylbutanamide
CID 91663412
2-Phenyl-5-(piperidin-4-ylmethoxy)pyridine
CID 127025530
3-[(4-{[1-(Oxane-4-carbonyl)piperidin-4-YL]methyl}phenyl)methoxy]pyridine
CID 132441834
N-hydroxy-4-[4-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]piperidin-1-yl]sulfonyloxane-4-carboxamide
CID 10096121
N-hydroxy-4-[4-[5-(4,4,4-trifluorobutoxy)pyridin-2-yl]phenyl]sulfonyloxane-4-carboxamide
CID 10390777
N-hydroxy-4-[4-[5-(2,2,3,3,3-pentafluoropropoxy)pyridin-2-yl]piperidin-1-yl]sulfonyloxane-4-carboxamide
CID 10414222
N-hydroxy-4-[4-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide
CID 10458603
4-[4-[5-(2,2-difluoropropoxy)pyridin-2-yl]piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 11754138

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-(5-phenylmethoxy-2-pyridinyl)piperidin-1-yl]sulfonyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[4-(5-phenylmethoxy-2-pyridinyl)piperidin-1-yl]sulfonyloxane-4-carboxamide (CID 10390189) is N-hydroxy-4-[4-(5-phenylmethoxy-2-pyridinyl)piperidin-1-yl]sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[4-(5-phenylmethoxy-2-pyridinyl)piperidin-1-yl]sulfonyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[4-(5-phenylmethoxy-2-pyridinyl)piperidin-1-yl]sulfonyloxane-4-carboxamide is O=C(NO)C1(S(=O)(=O)N2CCC(c3ccc(OCc4ccccc4)cn3)CC2)CCOCC1.
What is the InChIKey of N-hydroxy-4-[4-(5-phenylmethoxy-2-pyridinyl)piperidin-1-yl]sulfonyloxane-4-carboxamide?
The InChIKey is DGCYVDNAHQKIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O6S/c27-22(25-28)23(10-14-31-15-11-23)33(29,30)26-12-8-19(9-13-26)21-7-6-20(16-24-21)32-17-18-4-2-1-3-5-18/h1-7,16,19,28H,8-15,17H2,(H,25,27).
What are the key properties of N-hydroxy-4-[4-(5-phenylmethoxy-2-pyridinyl)piperidin-1-yl]sulfonyloxane-4-carboxamide?
N-hydroxy-4-[4-(5-phenylmethoxy-2-pyridinyl)piperidin-1-yl]sulfonyloxane-4-carboxamide has a molecular weight of 475.57 g/mol, XLogP of 2.22, 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-(5-phenylmethoxy-2-pyridinyl)piperidin-1-yl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 10390189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).