N-hydroxy-1-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylcyclopentane-1-carboxamide

C20H26F5N3O4S — CID 10097468

IUPACN-hydroxy-1-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylcyclopentane-1-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)N2CCC(c3ccc(CCC(F)(F)C(F)(F)F)cn3)CC2)CCCC1
InChIInChI=1S/C20H26F5N3O4S/c21-19(22,20(23,24)25)10-5-14-3-4-16(26-13-14)15-6-11-28(12-7-15)33(31,32)18(17(29)27-30)8-1-2-9-18/h3-4,13,15,30H,1-2,5-12H2,(H,27,29)
InChIKeyAMGWSNQLJHYGRQ-UHFFFAOYSA-N
MW499.50 g/mol
LogP3.54
Rot. Bonds7

About N-hydroxy-1-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylcyclopentane-1-carboxamide

N-hydroxy-1-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylcyclopentane-1-carboxamide (PubChem CID 10097468) has the molecular formula C20H26F5N3O4S and a molecular weight of 499.50 g/mol. Its IUPAC name is N-hydroxy-1-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylcyclopentane-1-carboxamide
PubChem CID10097468
Molecular FormulaC20H26F5N3O4S
Molecular Weight499.50 g/mol
Exact Mass499.16
IUPAC NameN-hydroxy-1-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylcyclopentane-1-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)N2CCC(c3ccc(CCC(F)(F)C(F)(F)F)cn3)CC2)CCCC1
InChIInChI=1S/C20H26F5N3O4S/c21-19(22,20(23,24)25)10-5-14-3-4-16(26-13-14)15-6-11-28(12-7-15)33(31,32)18(17(29)27-30)8-1-2-9-18/h3-4,13,15,30H,1-2,5-12H2,(H,27,29)
InChIKeyAMGWSNQLJHYGRQ-UHFFFAOYSA-N
XLogP3.54
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.50
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-Hydroxy-2-methyl-2-(methylsulfonyl)-4-(6-phenylpyridin-3-yl)butanamide
CID 51355299
N-Hydroxy-2-methyl-2-(methylsulfonyl)-4-(5-phenylpyridin-2-yl)butanamide
CID 51355300
(1R,2R,3R)-N-hydroxy-2-phenyl-3-[6-(trifluoromethyl)pyridin-3-yl]cyclopropane-1-carboxamide
CID 60148671
N-methyl-N-(2-pyridin-2-ylethyl)-3-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-3-yl]propanamide
CID 45177389
4,4-difluoro-N-(pyridin-3-ylmethylsulfonyl)cyclohexane-1-carboxamide
CID 136531881
N-hydroxy-1-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyridin-2-yl]piperidin-1-yl]sulfonylcyclopent-3-ene-1-carboxamide
CID 9983334
N-hydroxy-2-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyridin-2-yl]piperidin-1-yl]sulfonyl-2-prop-2-enylpent-4-enamide
CID 9984336
N-hydroxy-4-methoxy-2-(2-methoxyethyl)-2-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyridin-2-yl]piperidin-1-yl]sulfonylbutanamide
CID 9985290
4-[4-[5-(3-fluorophenyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 10004596
N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)pyridin-2-yl]piperidin-1-yl]sulfonyloxane-4-carboxamide
CID 10005329
N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyridin-2-yl]piperidin-1-yl]sulfonyl-1-phenylpiperidine-4-carboxamide
CID 10008575
N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyridin-2-yl]piperidin-1-yl]sulfonyl-1-pyridin-3-ylpiperidine-4-carboxamide
CID 10008591

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylcyclopentane-1-carboxamide?
The IUPAC name of N-hydroxy-1-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylcyclopentane-1-carboxamide (CID 10097468) is N-hydroxy-1-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylcyclopentane-1-carboxamide.
What is the SMILES notation for N-hydroxy-1-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylcyclopentane-1-carboxamide?
The canonical SMILES for N-hydroxy-1-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylcyclopentane-1-carboxamide is O=C(NO)C1(S(=O)(=O)N2CCC(c3ccc(CCC(F)(F)C(F)(F)F)cn3)CC2)CCCC1.
What is the InChIKey of N-hydroxy-1-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylcyclopentane-1-carboxamide?
The InChIKey is AMGWSNQLJHYGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F5N3O4S/c21-19(22,20(23,24)25)10-5-14-3-4-16(26-13-14)15-6-11-28(12-7-15)33(31,32)18(17(29)27-30)8-1-2-9-18/h3-4,13,15,30H,1-2,5-12H2,(H,27,29).
What are the key properties of N-hydroxy-1-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylcyclopentane-1-carboxamide?
N-hydroxy-1-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylcyclopentane-1-carboxamide has a molecular weight of 499.50 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylcyclopentane-1-carboxamide is sourced from PubChem (CID 10097468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).