N,N-dihydroxy-4-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]sulfonyloxane-3-carboxamide

C19H28N2O8S — CID 91558562

IUPACN,N-dihydroxy-4-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]sulfonyloxane-3-carboxamide
SMILESCOc1ccccc1COC1CCN(S(=O)(=O)C2CCOCC2C(=O)N(O)O)CC1
InChIInChI=1S/C19H28N2O8S/c1-27-17-5-3-2-4-14(17)12-29-15-6-9-20(10-7-15)30(25,26)18-8-11-28-13-16(18)19(22)21(23)24/h2-5,15-16,18,23-24H,6-13H2,1H3
InChIKeyGLRXKQJFXZLNRI-UHFFFAOYSA-N
MW444.51 g/mol
LogP1.02
Rot. Bonds7

About N,N-dihydroxy-4-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]sulfonyloxane-3-carboxamide

N,N-dihydroxy-4-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]sulfonyloxane-3-carboxamide (PubChem CID 91558562) has the molecular formula C19H28N2O8S and a molecular weight of 444.51 g/mol. Its IUPAC name is N,N-dihydroxy-4-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]sulfonyloxane-3-carboxamide.

Molecular Properties

Compound NameN,N-dihydroxy-4-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]sulfonyloxane-3-carboxamide
PubChem CID91558562
Molecular FormulaC19H28N2O8S
Molecular Weight444.51 g/mol
Exact Mass444.16
IUPAC NameN,N-dihydroxy-4-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]sulfonyloxane-3-carboxamide
SMILESCOc1ccccc1COC1CCN(S(=O)(=O)C2CCOCC2C(=O)N(O)O)CC1
InChIInChI=1S/C19H28N2O8S/c1-27-17-5-3-2-4-14(17)12-29-15-6-9-20(10-7-15)30(25,26)18-8-11-28-13-16(18)19(22)21(23)24/h2-5,15-16,18,23-24H,6-13H2,1H3
InChIKeyGLRXKQJFXZLNRI-UHFFFAOYSA-N
XLogP1.02
TPSA125.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-fluorophenyl)methoxy]piperidin-1-yl]sulfonyl-N,N-dihydroxyoxane-3-carboxamide
CID 91003195
4-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-N,N-dihydroxyoxane-3-carboxamide
CID 90772229
[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]-[(2R,3S)-2-methyloxan-3-yl]methanone
CID 129400330
[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]-[(2S,3S)-2-methyloxan-3-yl]methanone
CID 129400331
(4-fluorophenyl)-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]methanone
CID 84594202
4-[4-[(2-methoxyphenyl)methoxy]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674625
3-amino-1-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]butan-1-one
CID 120873928
3-[4-[(2-methoxyphenyl)methoxy]piperidine-1-carbonyl]benzoic acid
CID 120551630
N-[(1R)-1-cyclobutylethyl]-4-[(2-methoxyphenyl)methoxy]piperidine-1-carboxamide
CID 97160902
N-(1-cyclobutylethyl)-4-[(2-methoxyphenyl)methoxy]piperidine-1-carboxamide
CID 84593996
methyl 2-(oxan-4-yloxymethyl)benzoate
CID 81434511
2-[2-(oxan-4-yloxymethyl)phenyl]acetic acid
CID 113314325

Frequently Asked Questions

What is the IUPAC name of N,N-dihydroxy-4-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]sulfonyloxane-3-carboxamide?
The IUPAC name of N,N-dihydroxy-4-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]sulfonyloxane-3-carboxamide (CID 91558562) is N,N-dihydroxy-4-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]sulfonyloxane-3-carboxamide.
What is the SMILES notation for N,N-dihydroxy-4-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]sulfonyloxane-3-carboxamide?
The canonical SMILES for N,N-dihydroxy-4-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]sulfonyloxane-3-carboxamide is COc1ccccc1COC1CCN(S(=O)(=O)C2CCOCC2C(=O)N(O)O)CC1.
What is the InChIKey of N,N-dihydroxy-4-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]sulfonyloxane-3-carboxamide?
The InChIKey is GLRXKQJFXZLNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O8S/c1-27-17-5-3-2-4-14(17)12-29-15-6-9-20(10-7-15)30(25,26)18-8-11-28-13-16(18)19(22)21(23)24/h2-5,15-16,18,23-24H,6-13H2,1H3.
What are the key properties of N,N-dihydroxy-4-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]sulfonyloxane-3-carboxamide?
N,N-dihydroxy-4-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]sulfonyloxane-3-carboxamide has a molecular weight of 444.51 g/mol, XLogP of 1.02, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dihydroxy-4-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]sulfonyloxane-3-carboxamide is sourced from PubChem (CID 91558562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).