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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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).