4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]sulfonyl-N,N-dihydroxyoxane-3-carboxamide

C18H25FN2O7S — CID 91003195

IUPAC4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]sulfonyl-N,N-dihydroxyoxane-3-carboxamide
SMILESO=C(C1COCCC1S(=O)(=O)N1CCC(OCc2ccc(F)cc2)CC1)N(O)O
InChIInChI=1S/C18H25FN2O7S/c19-14-3-1-13(2-4-14)11-28-15-5-8-20(9-6-15)29(25,26)17-7-10-27-12-16(17)18(22)21(23)24/h1-4,15-17,23-24H,5-12H2
InChIKeyGTAFLRFMUXYTCW-UHFFFAOYSA-N
MW432.47 g/mol
LogP1.15
Rot. Bonds6

About 4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]sulfonyl-N,N-dihydroxyoxane-3-carboxamide

4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]sulfonyl-N,N-dihydroxyoxane-3-carboxamide (PubChem CID 91003195) has the molecular formula C18H25FN2O7S and a molecular weight of 432.47 g/mol. Its IUPAC name is 4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]sulfonyl-N,N-dihydroxyoxane-3-carboxamide.

Molecular Properties

Compound Name4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]sulfonyl-N,N-dihydroxyoxane-3-carboxamide
PubChem CID91003195
Molecular FormulaC18H25FN2O7S
Molecular Weight432.47 g/mol
Exact Mass432.14
IUPAC Name4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]sulfonyl-N,N-dihydroxyoxane-3-carboxamide
SMILESO=C(C1COCCC1S(=O)(=O)N1CCC(OCc2ccc(F)cc2)CC1)N(O)O
InChIInChI=1S/C18H25FN2O7S/c19-14-3-1-13(2-4-14)11-28-15-5-8-20(9-6-15)29(25,26)17-7-10-27-12-16(17)18(22)21(23)24/h1-4,15-17,23-24H,5-12H2
InChIKeyGTAFLRFMUXYTCW-UHFFFAOYSA-N
XLogP1.15
TPSA116.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.47
LogP ≤ 51.15
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 4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]sulfonyl-N,N-dihydroxyoxane-3-carboxamide?
The IUPAC name of 4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]sulfonyl-N,N-dihydroxyoxane-3-carboxamide (CID 91003195) is 4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]sulfonyl-N,N-dihydroxyoxane-3-carboxamide.
What is the SMILES notation for 4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]sulfonyl-N,N-dihydroxyoxane-3-carboxamide?
The canonical SMILES for 4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]sulfonyl-N,N-dihydroxyoxane-3-carboxamide is O=C(C1COCCC1S(=O)(=O)N1CCC(OCc2ccc(F)cc2)CC1)N(O)O.
What is the InChIKey of 4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]sulfonyl-N,N-dihydroxyoxane-3-carboxamide?
The InChIKey is GTAFLRFMUXYTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O7S/c19-14-3-1-13(2-4-14)11-28-15-5-8-20(9-6-15)29(25,26)17-7-10-27-12-16(17)18(22)21(23)24/h1-4,15-17,23-24H,5-12H2.
What are the key properties of 4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]sulfonyl-N,N-dihydroxyoxane-3-carboxamide?
4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]sulfonyl-N,N-dihydroxyoxane-3-carboxamide has a molecular weight of 432.47 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]sulfonyl-N,N-dihydroxyoxane-3-carboxamide is sourced from PubChem (CID 91003195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).