dipotassium;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 4-(6-nitro-3-pyridinyl)piperazine-1-carboxylate;hydride;1-(6-nitro-3-pyridinyl)piperazine;oxido formate;oxolane;hydrochloride

C38H61ClK2N8O15 — CID 159004295

About dipotassium;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 4-(6-nitro-3-pyridinyl)piperazine-1-carboxylate;hydride;1-(6-nitro-3-pyridinyl)piperazine;oxido formate;oxolane;hydrochloride

dipotassium;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 4-(6-nitro-3-pyridinyl)piperazine-1-carboxylate;hydride;1-(6-nitro-3-pyridinyl)piperazine;oxido formate;oxolane;hydrochloride (PubChem CID 159004295) has the molecular formula C38H61ClK2N8O15 and a molecular weight of 983.60 g/mol. Its IUPAC name is dipotassium;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 4-(6-nitro-3-pyridinyl)piperazine-1-carboxylate;hydride;1-(6-nitro-3-pyridinyl)piperazine;oxido formate;oxolane;hydrochloride.

Molecular Properties

• Compound Name: dipotassium;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 4-(6-nitro-3-pyridinyl)piperazine-1-carboxylate;hydride;1-(6-nitro-3-pyridinyl)piperazine;oxido formate;oxolane;hydrochloride
• PubChem CID: 159004295
• Molecular Formula: C38H61ClK2N8O15
• Molecular Weight: 983.60 g/mol
• Exact Mass: 982.32
• IUPAC Name: dipotassium;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 4-(6-nitro-3-pyridinyl)piperazine-1-carboxylate;hydride;1-(6-nitro-3-pyridinyl)piperazine;oxido formate;oxolane;hydrochloride
• SMILES: C1CCOC1.CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.Cl.O=CO[O-].O=[N+]([O-])c1ccc(N2CCNCC2)cn1.[H-].[K+].[K+]
• InChI: InChI=1S/C14H20N4O4.C10H18O5.C9H12N4O2.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;;;;/h4-5,10H,6-9H2,1-3H3;1-6H3;1-2,7,10H,3-6H2;1-4H2;1,3H;1H;;;/q;;;;;;2*+1;-1/p-1
• InChIKey: QISTZJDHSNABJU-UHFFFAOYSA-M
• XLogP: -0.91
• TPSA: 280.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 5
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	983.60
LogP ≤ 5	-0.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 4-(6-nitro-3-pyridinyl)piperazine-1-carboxylate;hydride;1-(6-nitro-3-pyridinyl)piperazine;oxido formate;oxolane;hydrochloride?

The IUPAC name of dipotassium;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 4-(6-nitro-3-pyridinyl)piperazine-1-carboxylate;hydride;1-(6-nitro-3-pyridinyl)piperazine;oxido formate;oxolane;hydrochloride (CID 159004295) is dipotassium;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 4-(6-nitro-3-pyridinyl)piperazine-1-carboxylate;hydride;1-(6-nitro-3-pyridinyl)piperazine;oxido formate;oxolane;hydrochloride.

What is the SMILES notation for dipotassium;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 4-(6-nitro-3-pyridinyl)piperazine-1-carboxylate;hydride;1-(6-nitro-3-pyridinyl)piperazine;oxido formate;oxolane;hydrochloride?

The canonical SMILES for dipotassium;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 4-(6-nitro-3-pyridinyl)piperazine-1-carboxylate;hydride;1-(6-nitro-3-pyridinyl)piperazine;oxido formate;oxolane;hydrochloride is C1CCOC1.CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.Cl.O=CO[O-].O=[N+]([O-])c1ccc(N2CCNCC2)cn1.[H-].[K+].[K+].

What is the InChIKey of dipotassium;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 4-(6-nitro-3-pyridinyl)piperazine-1-carboxylate;hydride;1-(6-nitro-3-pyridinyl)piperazine;oxido formate;oxolane;hydrochloride?

The InChIKey is QISTZJDHSNABJU-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H20N4O4.C10H18O5.C9H12N4O2.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;;;;/h4-5,10H,6-9H2,1-3H3;1-6H3;1-2,7,10H,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;tert-butyl 4-(6-nitro-3-pyridinyl)piperazine-1-carboxylate;hydride;1-(6-nitro-3-pyridinyl)piperazine;oxido formate;oxolane;hydrochloride?

dipotassium;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 4-(6-nitro-3-pyridinyl)piperazine-1-carboxylate;hydride;1-(6-nitro-3-pyridinyl)piperazine;oxido formate;oxolane;hydrochloride has a molecular weight of 983.60 g/mol, XLogP of -0.91, 5 rotatable bonds, 1 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;tert-butyl 4-(6-nitro-3-pyridinyl)piperazine-1-carboxylate;hydride;1-(6-nitro-3-pyridinyl)piperazine;oxido formate;oxolane;hydrochloride is sourced from PubChem (CID 159004295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).