N-hydroxy-1-(2-methoxyethyl)-4-[4-(4-methylphenoxy)piperidin-1-yl]sulfonylpiperidine-4-carboxamide

C21H33N3O6S — CID 59989399

IUPACN-hydroxy-1-(2-methoxyethyl)-4-[4-(4-methylphenoxy)piperidin-1-yl]sulfonylpiperidine-4-carboxamide
SMILESCOCCN1CCC(C(=O)NO)(S(=O)(=O)N2CCC(Oc3ccc(C)cc3)CC2)CC1
InChIInChI=1S/C21H33N3O6S/c1-17-3-5-18(6-4-17)30-19-7-11-24(12-8-19)31(27,28)21(20(25)22-26)9-13-23(14-10-21)15-16-29-2/h3-6,19,26H,7-16H2,1-2H3,(H,22,25)
InChIKeyKJIZNGYJFDJPDS-UHFFFAOYSA-N
MW455.58 g/mol
LogP1.15
Rot. Bonds8

About N-hydroxy-1-(2-methoxyethyl)-4-[4-(4-methylphenoxy)piperidin-1-yl]sulfonylpiperidine-4-carboxamide

N-hydroxy-1-(2-methoxyethyl)-4-[4-(4-methylphenoxy)piperidin-1-yl]sulfonylpiperidine-4-carboxamide (PubChem CID 59989399) has the molecular formula C21H33N3O6S and a molecular weight of 455.58 g/mol. Its IUPAC name is N-hydroxy-1-(2-methoxyethyl)-4-[4-(4-methylphenoxy)piperidin-1-yl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-(2-methoxyethyl)-4-[4-(4-methylphenoxy)piperidin-1-yl]sulfonylpiperidine-4-carboxamide
PubChem CID59989399
Molecular FormulaC21H33N3O6S
Molecular Weight455.58 g/mol
Exact Mass455.21
IUPAC NameN-hydroxy-1-(2-methoxyethyl)-4-[4-(4-methylphenoxy)piperidin-1-yl]sulfonylpiperidine-4-carboxamide
SMILESCOCCN1CCC(C(=O)NO)(S(=O)(=O)N2CCC(Oc3ccc(C)cc3)CC2)CC1
InChIInChI=1S/C21H33N3O6S/c1-17-3-5-18(6-4-17)30-19-7-11-24(12-8-19)31(27,28)21(20(25)22-26)9-13-23(14-10-21)15-16-29-2/h3-6,19,26H,7-16H2,1-2H3,(H,22,25)
InChIKeyKJIZNGYJFDJPDS-UHFFFAOYSA-N
XLogP1.15
TPSA108.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
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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Related Compounds

N-hydroxy-1-(2-methoxyethyl)-4-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 142247511
4-[4-[4-(cyclohexylmethyl)phenyl]piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide
CID 21068902
4-[4-[4-(4-fluorobutoxy)phenyl]piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide
CID 21068800
N-hydroxy-1-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylcyclohexane-1-carboxamide
CID 142009576
1-cyclopropyl-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide
CID 22052601
N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfanylpiperidine-4-carboxamide
CID 142009699
N-hydroxy-1-(pyrimidin-1-ium-1-ylmethyl)-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide
CID 23377578
4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(4-methylphenyl)piperidine-4-carboxamide
CID 21068872
4-[4-[4-(4-cyanobutyl)phenyl]piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide
CID 21068797
N-hydroxy-1-pyrimidin-2-yl-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide
CID 22052587
N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(2-methylhexyl)phenyl]piperazin-1-yl]sulfonylpiperidine-4-carboxamide
CID 21068532
N-hydroxy-1-(2-methoxyethyl)-4-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 158009034

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-(2-methoxyethyl)-4-[4-(4-methylphenoxy)piperidin-1-yl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-hydroxy-1-(2-methoxyethyl)-4-[4-(4-methylphenoxy)piperidin-1-yl]sulfonylpiperidine-4-carboxamide (CID 59989399) is N-hydroxy-1-(2-methoxyethyl)-4-[4-(4-methylphenoxy)piperidin-1-yl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-hydroxy-1-(2-methoxyethyl)-4-[4-(4-methylphenoxy)piperidin-1-yl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-hydroxy-1-(2-methoxyethyl)-4-[4-(4-methylphenoxy)piperidin-1-yl]sulfonylpiperidine-4-carboxamide is COCCN1CCC(C(=O)NO)(S(=O)(=O)N2CCC(Oc3ccc(C)cc3)CC2)CC1.
What is the InChIKey of N-hydroxy-1-(2-methoxyethyl)-4-[4-(4-methylphenoxy)piperidin-1-yl]sulfonylpiperidine-4-carboxamide?
The InChIKey is KJIZNGYJFDJPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O6S/c1-17-3-5-18(6-4-17)30-19-7-11-24(12-8-19)31(27,28)21(20(25)22-26)9-13-23(14-10-21)15-16-29-2/h3-6,19,26H,7-16H2,1-2H3,(H,22,25).
What are the key properties of N-hydroxy-1-(2-methoxyethyl)-4-[4-(4-methylphenoxy)piperidin-1-yl]sulfonylpiperidine-4-carboxamide?
N-hydroxy-1-(2-methoxyethyl)-4-[4-(4-methylphenoxy)piperidin-1-yl]sulfonylpiperidine-4-carboxamide has a molecular weight of 455.58 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-(2-methoxyethyl)-4-[4-(4-methylphenoxy)piperidin-1-yl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 59989399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).