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

C21H33N3O5S — CID 10048852

IUPACN-hydroxy-4-[4-(5-pentyl-2-pyridinyl)piperidin-1-yl]sulfonyloxane-4-carboxamide
SMILESCCCCCc1ccc(C2CCN(S(=O)(=O)C3(C(=O)NO)CCOCC3)CC2)nc1
InChIInChI=1S/C21H33N3O5S/c1-2-3-4-5-17-6-7-19(22-16-17)18-8-12-24(13-9-18)30(27,28)21(20(25)23-26)10-14-29-15-11-21/h6-7,16,18,26H,2-5,8-15H2,1H3,(H,23,25)
InChIKeyGKHNCNVXWASGNR-UHFFFAOYSA-N
MW439.58 g/mol
LogP2.38
Rot. Bonds8

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

N-hydroxy-4-[4-(5-pentyl-2-pyridinyl)piperidin-1-yl]sulfonyloxane-4-carboxamide (PubChem CID 10048852) has the molecular formula C21H33N3O5S and a molecular weight of 439.58 g/mol. Its IUPAC name is N-hydroxy-4-[4-(5-pentyl-2-pyridinyl)piperidin-1-yl]sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-(5-pentyl-2-pyridinyl)piperidin-1-yl]sulfonyloxane-4-carboxamide
PubChem CID10048852
Molecular FormulaC21H33N3O5S
Molecular Weight439.58 g/mol
Exact Mass439.21
IUPAC NameN-hydroxy-4-[4-(5-pentyl-2-pyridinyl)piperidin-1-yl]sulfonyloxane-4-carboxamide
SMILESCCCCCc1ccc(C2CCN(S(=O)(=O)C3(C(=O)NO)CCOCC3)CC2)nc1
InChIInChI=1S/C21H33N3O5S/c1-2-3-4-5-17-6-7-19(22-16-17)18-8-12-24(13-9-18)30(27,28)21(20(25)23-26)10-14-29-15-11-21/h6-7,16,18,26H,2-5,8-15H2,1H3,(H,23,25)
InChIKeyGKHNCNVXWASGNR-UHFFFAOYSA-N
XLogP2.38
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[4-(5-bromo-2-pyridinyl)piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide;hydrochloride
CID 162329207
1-[4-[5-(3,3-difluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-N-hydroxycyclopentane-1-carboxamide
CID 10411250
N-hydroxy-4-[4-(5-propyl-2-pyridinyl)piperazin-1-yl]sulfonyloxane-4-carboxamide;hydrochloride
CID 162326281
4-[4-[5-(3-fluorophenyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 10004596
N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyrimidin-2-yl]piperidin-1-yl]sulfonyloxane-4-carboxamide;hydrochloride
CID 161472394
N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]piperazin-1-yl]sulfonyloxane-4-carboxamide
CID 21068981
N-hydroxy-4-[4-(5-pentyl-2-pyridinyl)piperazin-1-yl]sulfonyl-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 21069061
4-[4-fluoro-4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 21069100
N-hydroxy-2-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-1,3-dihydroindene-2-carboxamide
CID 10437470
4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide;hydrochloride
CID 169423979
4-[dihydroxy-[4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-1-yl]-λ4-sulfanyl]-N-hydroxyoxane-4-carboxamide
CID 21069165
N-hydroxy-1-(4-methylphenyl)-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxamide;hydrochloride
CID 162328110

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-(5-pentyl-2-pyridinyl)piperidin-1-yl]sulfonyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[4-(5-pentyl-2-pyridinyl)piperidin-1-yl]sulfonyloxane-4-carboxamide (CID 10048852) is N-hydroxy-4-[4-(5-pentyl-2-pyridinyl)piperidin-1-yl]sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[4-(5-pentyl-2-pyridinyl)piperidin-1-yl]sulfonyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[4-(5-pentyl-2-pyridinyl)piperidin-1-yl]sulfonyloxane-4-carboxamide is CCCCCc1ccc(C2CCN(S(=O)(=O)C3(C(=O)NO)CCOCC3)CC2)nc1.
What is the InChIKey of N-hydroxy-4-[4-(5-pentyl-2-pyridinyl)piperidin-1-yl]sulfonyloxane-4-carboxamide?
The InChIKey is GKHNCNVXWASGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O5S/c1-2-3-4-5-17-6-7-19(22-16-17)18-8-12-24(13-9-18)30(27,28)21(20(25)23-26)10-14-29-15-11-21/h6-7,16,18,26H,2-5,8-15H2,1H3,(H,23,25).
What are the key properties of N-hydroxy-4-[4-(5-pentyl-2-pyridinyl)piperidin-1-yl]sulfonyloxane-4-carboxamide?
N-hydroxy-4-[4-(5-pentyl-2-pyridinyl)piperidin-1-yl]sulfonyloxane-4-carboxamide has a molecular weight of 439.58 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-(5-pentyl-2-pyridinyl)piperidin-1-yl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 10048852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).