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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dihydroxy-4-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]sulfonyloxane-3-carboxamide
CID 91558562
4-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-N,N-dihydroxyoxane-3-carboxamide
CID 90772229
(3R)-3-[(4-fluorophenyl)methoxy]-1-(oxolan-3-yl)pyrrolidine
CID 71193384
4-(4-fluorophenyl)sulfonyl-6-phenylmethoxy-1,4-oxazepane
CID 162795674
[(3S)-oxolan-3-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 95272421
4-phenylmethoxypiperidine-1-sulfonic acid
CID 174878483
N,N-dihydroxy-4-[4-(4-methoxyphenyl)phenyl]sulfonyloxane-3-carboxamide
CID 91170376
4-[(4-fluorophenyl)methoxy]cyclohexan-1-one
CID 58923671
2-[4-(oxan-4-yloxymethyl)phenyl]acetic acid
CID 105344934
1-(4-fluorophenyl)sulfonyl-4-(2-phenylmethoxyethoxy)piperidine
CID 91918358
N-amino-4-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-N-hydroxyoxane-3-carboxamide
CID 91196880
2-(3,4-difluorophenyl)-1-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]ethanone
CID 75503659

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).