dipotassium;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;hydride;N-hydroxy-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridin-2-amine oxide;N-hydroxy-5-piperazin-1-ylpyridin-2-amine oxide;oxido formate;oxolane;hydrochloride

C38H65ClK2N8O15 — CID 159239803

IUPACdipotassium;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;hydride;N-hydroxy-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridin-2-amine oxide;N-hydroxy-5-piperazin-1-ylpyridin-2-amine oxide;oxido formate;oxolane;hydrochloride
SMILESC1CCOC1.CC(C)(C)OC(=O)N1CCN(c2ccc([NH+]([O-])O)nc2)CC1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.Cl.O=CO[O-].[H-].[K+].[K+].[O-][NH+](O)c1ccc(N2CCNCC2)cn1
InChIInChI=1S/C14H22N4O4.C10H18O5.C9H14N4O2.C4H8O.CH2O3.ClH.2K.H/c1-14(2,3)22-13(19)17-8-6-16(7-9-17)11-4-5-12(15-10-11)18(20)21;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;14-13(15)9-2-1-8(7-11-9)12-5-3-10-4-6-12;1-2-4-5-3-1;2-1-4-3;;;;/h4-5,10,18,20H,6-9H2,1-3H3;1-6H3;1-2,7,10,13-14H,3-6H2;1-4H2;1,3H;1H;;;/q;;;;;;2*+1;-1/p-1
InChIKeyQIIVIEUSFOEHQT-UHFFFAOYSA-M
MW987.63 g/mol
LogP-3.92
Rot. Bonds5

About dipotassium;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;hydride;N-hydroxy-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridin-2-amine oxide;N-hydroxy-5-piperazin-1-ylpyridin-2-amine oxide;oxido formate;oxolane;hydrochloride

dipotassium;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;hydride;N-hydroxy-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridin-2-amine oxide;N-hydroxy-5-piperazin-1-ylpyridin-2-amine oxide;oxido formate;oxolane;hydrochloride (PubChem CID 159239803) has the molecular formula C38H65ClK2N8O15 and a molecular weight of 987.63 g/mol. Its IUPAC name is dipotassium;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;hydride;N-hydroxy-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridin-2-amine oxide;N-hydroxy-5-piperazin-1-ylpyridin-2-amine oxide;oxido formate;oxolane;hydrochloride.

Molecular Properties

Compound Namedipotassium;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;hydride;N-hydroxy-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridin-2-amine oxide;N-hydroxy-5-piperazin-1-ylpyridin-2-amine oxide;oxido formate;oxolane;hydrochloride
PubChem CID159239803
Molecular FormulaC38H65ClK2N8O15
Molecular Weight987.63 g/mol
Exact Mass986.35
IUPAC Namedipotassium;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;hydride;N-hydroxy-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridin-2-amine oxide;N-hydroxy-5-piperazin-1-ylpyridin-2-amine oxide;oxido formate;oxolane;hydrochloride
SMILESC1CCOC1.CC(C)(C)OC(=O)N1CCN(c2ccc([NH+]([O-])O)nc2)CC1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.Cl.O=CO[O-].[H-].[K+].[K+].[O-][NH+](O)c1ccc(N2CCNCC2)cn1
InChIInChI=1S/C14H22N4O4.C10H18O5.C9H14N4O2.C4H8O.CH2O3.ClH.2K.H/c1-14(2,3)22-13(19)17-8-6-16(7-9-17)11-4-5-12(15-10-11)18(20)21;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;14-13(15)9-2-1-8(7-11-9)12-5-3-10-4-6-12;1-2-4-5-3-1;2-1-4-3;;;;/h4-5,10,18,20H,6-9H2,1-3H3;1-6H3;1-2,7,10,13-14H,3-6H2;1-4H2;1,3H;1H;;;/q;;;;;;2*+1;-1/p-1
InChIKeyQIIVIEUSFOEHQT-UHFFFAOYSA-M
XLogP-3.92
TPSA289.71 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500987.63
LogP ≤ 5-3.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze dipotassium;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;hydride;N-hydroxy-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridin-2-amine oxide;N-hydroxy-5-piperazin-1-ylpyridin-2-amine oxide;oxido formate;oxolane;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of dipotassium;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;hydride;N-hydroxy-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridin-2-amine oxide;N-hydroxy-5-piperazin-1-ylpyridin-2-amine oxide;oxido formate;oxolane;hydrochloride?
The IUPAC name of dipotassium;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;hydride;N-hydroxy-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridin-2-amine oxide;N-hydroxy-5-piperazin-1-ylpyridin-2-amine oxide;oxido formate;oxolane;hydrochloride (CID 159239803) is dipotassium;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;hydride;N-hydroxy-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridin-2-amine oxide;N-hydroxy-5-piperazin-1-ylpyridin-2-amine oxide;oxido formate;oxolane;hydrochloride.
What is the SMILES notation for dipotassium;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;hydride;N-hydroxy-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridin-2-amine oxide;N-hydroxy-5-piperazin-1-ylpyridin-2-amine oxide;oxido formate;oxolane;hydrochloride?
The canonical SMILES for dipotassium;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;hydride;N-hydroxy-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridin-2-amine oxide;N-hydroxy-5-piperazin-1-ylpyridin-2-amine oxide;oxido formate;oxolane;hydrochloride is C1CCOC1.CC(C)(C)OC(=O)N1CCN(c2ccc([NH+]([O-])O)nc2)CC1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.Cl.O=CO[O-].[H-].[K+].[K+].[O-][NH+](O)c1ccc(N2CCNCC2)cn1.
What is the InChIKey of dipotassium;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;hydride;N-hydroxy-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridin-2-amine oxide;N-hydroxy-5-piperazin-1-ylpyridin-2-amine oxide;oxido formate;oxolane;hydrochloride?
The InChIKey is QIIVIEUSFOEHQT-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H22N4O4.C10H18O5.C9H14N4O2.C4H8O.CH2O3.ClH.2K.H/c1-14(2,3)22-13(19)17-8-6-16(7-9-17)11-4-5-12(15-10-11)18(20)21;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;14-13(15)9-2-1-8(7-11-9)12-5-3-10-4-6-12;1-2-4-5-3-1;2-1-4-3;;;;/h4-5,10,18,20H,6-9H2,1-3H3;1-6H3;1-2,7,10,13-14H,3-6H2;1-4H2;1,3H;1H;;;/q;;;;;;2*+1;-1/p-1.
What are the key properties of dipotassium;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;hydride;N-hydroxy-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridin-2-amine oxide;N-hydroxy-5-piperazin-1-ylpyridin-2-amine oxide;oxido formate;oxolane;hydrochloride?
dipotassium;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;hydride;N-hydroxy-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridin-2-amine oxide;N-hydroxy-5-piperazin-1-ylpyridin-2-amine oxide;oxido formate;oxolane;hydrochloride has a molecular weight of 987.63 g/mol, XLogP of -3.92, 5 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;hydride;N-hydroxy-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridin-2-amine oxide;N-hydroxy-5-piperazin-1-ylpyridin-2-amine oxide;oxido formate;oxolane;hydrochloride is sourced from PubChem (CID 159239803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).