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

C25H30F5N5O4S — CID 10008591

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

N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-1-pyridin-3-ylpiperidine-4-carboxamide (PubChem CID 10008591) has the molecular formula C25H30F5N5O4S and a molecular weight of 591.60 g/mol. Its IUPAC name is N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-1-pyridin-3-ylpiperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-1-pyridin-3-ylpiperidine-4-carboxamide
• PubChem CID: 10008591
• Molecular Formula: C25H30F5N5O4S
• Molecular Weight: 591.60 g/mol
• Exact Mass: 591.19
• IUPAC Name: N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-1-pyridin-3-ylpiperidine-4-carboxamide
• SMILES: O=C(NO)C1(S(=O)(=O)N2CCC(c3ccc(CCC(F)(F)C(F)(F)F)cn3)CC2)CCN(c2cccnc2)CC1
• InChI: InChI=1S/C25H30F5N5O4S/c26-24(27,25(28,29)30)8-5-18-3-4-21(32-16-18)19-6-12-35(13-7-19)40(38,39)23(22(36)33-37)9-14-34(15-10-23)20-2-1-11-31-17-20/h1-4,11,16-17,19,37H,5-10,12-15H2,(H,33,36)
• InChIKey: QXNGUNMLECFVAT-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 115.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	591.60
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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'}

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-pyridin-3-ylpiperidine-4-carboxamide?

The IUPAC name of N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-1-pyridin-3-ylpiperidine-4-carboxamide (CID 10008591) is N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-1-pyridin-3-ylpiperidine-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-pyridin-3-ylpiperidine-4-carboxamide?

The canonical SMILES for N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-1-pyridin-3-ylpiperidine-4-carboxamide is O=C(NO)C1(S(=O)(=O)N2CCC(c3ccc(CCC(F)(F)C(F)(F)F)cn3)CC2)CCN(c2cccnc2)CC1.

What is the InChIKey of N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-1-pyridin-3-ylpiperidine-4-carboxamide?

The InChIKey is QXNGUNMLECFVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F5N5O4S/c26-24(27,25(28,29)30)8-5-18-3-4-21(32-16-18)19-6-12-35(13-7-19)40(38,39)23(22(36)33-37)9-14-34(15-10-23)20-2-1-11-31-17-20/h1-4,11,16-17,19,37H,5-10,12-15H2,(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-pyridin-3-ylpiperidine-4-carboxamide?

N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-1-pyridin-3-ylpiperidine-4-carboxamide has a molecular weight of 591.60 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 7 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-pyridin-3-ylpiperidine-4-carboxamide is sourced from PubChem (CID 10008591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).