N-hydroxy-4-[4-(5-propyl-2-pyridinyl)piperazin-1-yl]sulfonyloxane-4-carboxamide;hydrochloride

C18H29ClN4O5S — CID 162326281

IUPACN-hydroxy-4-[4-(5-propyl-2-pyridinyl)piperazin-1-yl]sulfonyloxane-4-carboxamide;hydrochloride
SMILESCCCc1ccc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCOCC3)CC2)nc1.Cl
InChIInChI=1S/C18H28N4O5S.ClH/c1-2-3-15-4-5-16(19-14-15)21-8-10-22(11-9-21)28(25,26)18(17(23)20-24)6-12-27-13-7-18;/h4-5,14,24H,2-3,6-13H2,1H3,(H,20,23);1H
InChIKeyOIVANYSXCNAASB-UHFFFAOYSA-N
MW448.97 g/mol
LogP0.96
Rot. Bonds6

About N-hydroxy-4-[4-(5-propyl-2-pyridinyl)piperazin-1-yl]sulfonyloxane-4-carboxamide;hydrochloride

N-hydroxy-4-[4-(5-propyl-2-pyridinyl)piperazin-1-yl]sulfonyloxane-4-carboxamide;hydrochloride (PubChem CID 162326281) has the molecular formula C18H29ClN4O5S and a molecular weight of 448.97 g/mol. Its IUPAC name is N-hydroxy-4-[4-(5-propyl-2-pyridinyl)piperazin-1-yl]sulfonyloxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-hydroxy-4-[4-(5-propyl-2-pyridinyl)piperazin-1-yl]sulfonyloxane-4-carboxamide;hydrochloride
PubChem CID162326281
Molecular FormulaC18H29ClN4O5S
Molecular Weight448.97 g/mol
Exact Mass448.15
IUPAC NameN-hydroxy-4-[4-(5-propyl-2-pyridinyl)piperazin-1-yl]sulfonyloxane-4-carboxamide;hydrochloride
SMILESCCCc1ccc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCOCC3)CC2)nc1.Cl
InChIInChI=1S/C18H28N4O5S.ClH/c1-2-3-15-4-5-16(19-14-15)21-8-10-22(11-9-21)28(25,26)18(17(23)20-24)6-12-27-13-7-18;/h4-5,14,24H,2-3,6-13H2,1H3,(H,20,23);1H
InChIKeyOIVANYSXCNAASB-UHFFFAOYSA-N
XLogP0.96
TPSA112.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.97
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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-propyl-2-pyridinyl)piperazin-1-yl]sulfonyloxane-4-carboxamide;hydrochloride?
The IUPAC name of N-hydroxy-4-[4-(5-propyl-2-pyridinyl)piperazin-1-yl]sulfonyloxane-4-carboxamide;hydrochloride (CID 162326281) is N-hydroxy-4-[4-(5-propyl-2-pyridinyl)piperazin-1-yl]sulfonyloxane-4-carboxamide;hydrochloride.
What is the SMILES notation for N-hydroxy-4-[4-(5-propyl-2-pyridinyl)piperazin-1-yl]sulfonyloxane-4-carboxamide;hydrochloride?
The canonical SMILES for N-hydroxy-4-[4-(5-propyl-2-pyridinyl)piperazin-1-yl]sulfonyloxane-4-carboxamide;hydrochloride is CCCc1ccc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCOCC3)CC2)nc1.Cl.
What is the InChIKey of N-hydroxy-4-[4-(5-propyl-2-pyridinyl)piperazin-1-yl]sulfonyloxane-4-carboxamide;hydrochloride?
The InChIKey is OIVANYSXCNAASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O5S.ClH/c1-2-3-15-4-5-16(19-14-15)21-8-10-22(11-9-21)28(25,26)18(17(23)20-24)6-12-27-13-7-18;/h4-5,14,24H,2-3,6-13H2,1H3,(H,20,23);1H.
What are the key properties of N-hydroxy-4-[4-(5-propyl-2-pyridinyl)piperazin-1-yl]sulfonyloxane-4-carboxamide;hydrochloride?
N-hydroxy-4-[4-(5-propyl-2-pyridinyl)piperazin-1-yl]sulfonyloxane-4-carboxamide;hydrochloride has a molecular weight of 448.97 g/mol, XLogP of 0.96, 6 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-propyl-2-pyridinyl)piperazin-1-yl]sulfonyloxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 162326281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).