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

C26H31F5N4O4S — CID 10008575

IUPACN-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-1-phenylpiperidine-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)N2CCC(c3ccc(CCC(F)(F)C(F)(F)F)cn3)CC2)CCN(c2ccccc2)CC1
InChIInChI=1S/C26H31F5N4O4S/c27-25(28,26(29,30)31)11-8-19-6-7-22(32-18-19)20-9-14-35(15-10-20)40(38,39)24(23(36)33-37)12-16-34(17-13-24)21-4-2-1-3-5-21/h1-7,18,20,37H,8-17H2,(H,33,36)
InChIKeySEGVXNPJESOIJG-UHFFFAOYSA-N
MW590.62 g/mol
LogP4.27
Rot. Bonds8

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

N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-1-phenylpiperidine-4-carboxamide (PubChem CID 10008575) has the molecular formula C26H31F5N4O4S and a molecular weight of 590.62 g/mol. Its IUPAC name is N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-1-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-1-phenylpiperidine-4-carboxamide
PubChem CID10008575
Molecular FormulaC26H31F5N4O4S
Molecular Weight590.62 g/mol
Exact Mass590.20
IUPAC NameN-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-1-phenylpiperidine-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)N2CCC(c3ccc(CCC(F)(F)C(F)(F)F)cn3)CC2)CCN(c2ccccc2)CC1
InChIInChI=1S/C26H31F5N4O4S/c27-25(28,26(29,30)31)11-8-19-6-7-22(32-18-19)20-9-14-35(15-10-20)40(38,39)24(23(36)33-37)12-16-34(17-13-24)21-4-2-1-3-5-21/h1-7,18,20,37H,8-17H2,(H,33,36)
InChIKeySEGVXNPJESOIJG-UHFFFAOYSA-N
XLogP4.27
TPSA102.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500590.62
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Launch Full Analysis

Related Compounds

(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(4-pyridin-2-ylphenyl)-1-pyridinyl]butanamide
CID 57325771
1-(pyridin-3-ylsulfonyl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 16002740
N-benzyl-N-ethyl-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidine-4-carboxamide
CID 71737616
1-[1-(Pyridine-3-sulfonyl)piperidine-4-carbonyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 15994331
1-pyridin-3-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 20851613
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-pyridin-3-ylpiperidine-4-carboxamide
CID 10008591
4-[4-[5-(3,3-difluorobutyl)pyridin-2-yl]piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 10027315

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-1-phenylpiperidine-4-carboxamide?
The IUPAC name of N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-1-phenylpiperidine-4-carboxamide (CID 10008575) is N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-1-phenylpiperidine-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-1-phenylpiperidine-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-1-phenylpiperidine-4-carboxamide is O=C(NO)C1(S(=O)(=O)N2CCC(c3ccc(CCC(F)(F)C(F)(F)F)cn3)CC2)CCN(c2ccccc2)CC1.
What is the InChIKey of N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-1-phenylpiperidine-4-carboxamide?
The InChIKey is SEGVXNPJESOIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F5N4O4S/c27-25(28,26(29,30)31)11-8-19-6-7-22(32-18-19)20-9-14-35(15-10-20)40(38,39)24(23(36)33-37)12-16-34(17-13-24)21-4-2-1-3-5-21/h1-7,18,20,37H,8-17H2,(H,33,36).
What are the key properties of N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-1-phenylpiperidine-4-carboxamide?
N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-1-phenylpiperidine-4-carboxamide has a molecular weight of 590.62 g/mol, XLogP of 4.27, 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-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-1-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 10008575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).