dicopper;azanide;copper;copper(1+);2-(3,6-dihydro-2H-pyridin-1-id-6-yl)-3,5,6-tri(piperidin-1-id-2-yl)piperazine-1,4-diide;(dihydroxy(oxo)vanadio)oxy-dihydroxy-oxovanadium;vanadium

C24H48Cu4N9O7V3-4 — CID 6395458

IUPACdicopper;azanide;copper;copper(1+);2-(3,6-dihydro-2H-pyridin-1-id-6-yl)-3,5,6-tri(piperidin-1-id-2-yl)piperazine-1,4-diide;(dihydroxy(oxo)vanadio)oxy-dihydroxy-oxovanadium;vanadium
SMILESC1=CC(C2[N-]C(C3CCCC[N-]3)C(C3CCCC[N-]3)[N-]C2C2CCCC[N-]2)[N-]CC1.O=[V](O)(O)O[V](=O)(O)O.[Cu+2].[Cu+2].[Cu+].[Cu].[NH2-].[NH2-].[NH2-].[V]
InChIInChI=1S/C24H38N6.4Cu.3H2N.4H2O.3O.3V/c1-5-13-25-17(9-1)21-22(18-10-2-6-14-26-18)30-24(20-12-4-8-16-28-20)23(29-21)19-11-3-7-15-27-19;;;;;;;;;;;;;;;;;/h1,9,17-24H,2-8,10-16H2;;;;;7*1H2;;;;;;/q-6;;+1;2*+2;3*-1;;;;;;;;;2*+2/p-4
InChIKeyWEIRKCQSUXSRLM-UHFFFAOYSA-J
MW981.72 g/mol
LogP5.30
Rot. Bonds6

About dicopper;azanide;copper;copper(1+);2-(3,6-dihydro-2H-pyridin-1-id-6-yl)-3,5,6-tri(piperidin-1-id-2-yl)piperazine-1,4-diide;(dihydroxy(oxo)vanadio)oxy-dihydroxy-oxovanadium;vanadium

dicopper;azanide;copper;copper(1+);2-(3,6-dihydro-2H-pyridin-1-id-6-yl)-3,5,6-tri(piperidin-1-id-2-yl)piperazine-1,4-diide;(dihydroxy(oxo)vanadio)oxy-dihydroxy-oxovanadium;vanadium (PubChem CID 6395458) has the molecular formula C24H48Cu4N9O7V3-4 and a molecular weight of 981.72 g/mol. Its IUPAC name is dicopper;azanide;copper;copper(1+);2-(3,6-dihydro-2H-pyridin-1-id-6-yl)-3,5,6-tri(piperidin-1-id-2-yl)piperazine-1,4-diide;(dihydroxy(oxo)vanadio)oxy-dihydroxy-oxovanadium;vanadium.

Molecular Properties

Compound Namedicopper;azanide;copper;copper(1+);2-(3,6-dihydro-2H-pyridin-1-id-6-yl)-3,5,6-tri(piperidin-1-id-2-yl)piperazine-1,4-diide;(dihydroxy(oxo)vanadio)oxy-dihydroxy-oxovanadium;vanadium
PubChem CID6395458
Molecular FormulaC24H48Cu4N9O7V3-4
Molecular Weight981.72 g/mol
Exact Mass978.92
IUPAC Namedicopper;azanide;copper;copper(1+);2-(3,6-dihydro-2H-pyridin-1-id-6-yl)-3,5,6-tri(piperidin-1-id-2-yl)piperazine-1,4-diide;(dihydroxy(oxo)vanadio)oxy-dihydroxy-oxovanadium;vanadium
SMILESC1=CC(C2[N-]C(C3CCCC[N-]3)C(C3CCCC[N-]3)[N-]C2C2CCCC[N-]2)[N-]CC1.O=[V](O)(O)O[V](=O)(O)O.[Cu+2].[Cu+2].[Cu+].[Cu].[NH2-].[NH2-].[NH2-].[V]
InChIInChI=1S/C24H38N6.4Cu.3H2N.4H2O.3O.3V/c1-5-13-25-17(9-1)21-22(18-10-2-6-14-26-18)30-24(20-12-4-8-16-28-20)23(29-21)19-11-3-7-15-27-19;;;;;;;;;;;;;;;;;/h1,9,17-24H,2-8,10-16H2;;;;;7*1H2;;;;;;/q-6;;+1;2*+2;3*-1;;;;;;;;;2*+2/p-4
InChIKeyWEIRKCQSUXSRLM-UHFFFAOYSA-J
XLogP5.30
TPSA309.39 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500981.72
LogP ≤ 55.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze dicopper;azanide;copper;copper(1+);2-(3,6-dihydro-2H-pyridin-1-id-6-yl)-3,5,6-tri(piperidin-1-id-2-yl)piperazine-1,4-diide;(dihydroxy(oxo)vanadio)oxy-dihydroxy-oxovanadium;vanadium with MolForge

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Related Compounds

2,6-bis(2H-pyridin-1-id-2-yl)-2H-pyridin-1-ide;6-piperidin-1-id-2-yl-3,6-dihydro-2H-pyridin-1-ide;ruthenium(2+)
CID 50909716
bis(1-cyclohexyl-4,4,4-trifluorobutane-1,3-diol);manganese(2+);6-piperidin-1-id-2-yl-3,6-dihydro-2H-pyridin-1-ide
CID 5259938
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CID 4866679
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Frequently Asked Questions

What is the IUPAC name of dicopper;azanide;copper;copper(1+);2-(3,6-dihydro-2H-pyridin-1-id-6-yl)-3,5,6-tri(piperidin-1-id-2-yl)piperazine-1,4-diide;(dihydroxy(oxo)vanadio)oxy-dihydroxy-oxovanadium;vanadium?
The IUPAC name of dicopper;azanide;copper;copper(1+);2-(3,6-dihydro-2H-pyridin-1-id-6-yl)-3,5,6-tri(piperidin-1-id-2-yl)piperazine-1,4-diide;(dihydroxy(oxo)vanadio)oxy-dihydroxy-oxovanadium;vanadium (CID 6395458) is dicopper;azanide;copper;copper(1+);2-(3,6-dihydro-2H-pyridin-1-id-6-yl)-3,5,6-tri(piperidin-1-id-2-yl)piperazine-1,4-diide;(dihydroxy(oxo)vanadio)oxy-dihydroxy-oxovanadium;vanadium.
What is the SMILES notation for dicopper;azanide;copper;copper(1+);2-(3,6-dihydro-2H-pyridin-1-id-6-yl)-3,5,6-tri(piperidin-1-id-2-yl)piperazine-1,4-diide;(dihydroxy(oxo)vanadio)oxy-dihydroxy-oxovanadium;vanadium?
The canonical SMILES for dicopper;azanide;copper;copper(1+);2-(3,6-dihydro-2H-pyridin-1-id-6-yl)-3,5,6-tri(piperidin-1-id-2-yl)piperazine-1,4-diide;(dihydroxy(oxo)vanadio)oxy-dihydroxy-oxovanadium;vanadium is C1=CC(C2[N-]C(C3CCCC[N-]3)C(C3CCCC[N-]3)[N-]C2C2CCCC[N-]2)[N-]CC1.O=[V](O)(O)O[V](=O)(O)O.[Cu+2].[Cu+2].[Cu+].[Cu].[NH2-].[NH2-].[NH2-].[V].
What is the InChIKey of dicopper;azanide;copper;copper(1+);2-(3,6-dihydro-2H-pyridin-1-id-6-yl)-3,5,6-tri(piperidin-1-id-2-yl)piperazine-1,4-diide;(dihydroxy(oxo)vanadio)oxy-dihydroxy-oxovanadium;vanadium?
The InChIKey is WEIRKCQSUXSRLM-UHFFFAOYSA-J. The full InChI is InChI=1S/C24H38N6.4Cu.3H2N.4H2O.3O.3V/c1-5-13-25-17(9-1)21-22(18-10-2-6-14-26-18)30-24(20-12-4-8-16-28-20)23(29-21)19-11-3-7-15-27-19;;;;;;;;;;;;;;;;;/h1,9,17-24H,2-8,10-16H2;;;;;7*1H2;;;;;;/q-6;;+1;2*+2;3*-1;;;;;;;;;2*+2/p-4.
What are the key properties of dicopper;azanide;copper;copper(1+);2-(3,6-dihydro-2H-pyridin-1-id-6-yl)-3,5,6-tri(piperidin-1-id-2-yl)piperazine-1,4-diide;(dihydroxy(oxo)vanadio)oxy-dihydroxy-oxovanadium;vanadium?
dicopper;azanide;copper;copper(1+);2-(3,6-dihydro-2H-pyridin-1-id-6-yl)-3,5,6-tri(piperidin-1-id-2-yl)piperazine-1,4-diide;(dihydroxy(oxo)vanadio)oxy-dihydroxy-oxovanadium;vanadium has a molecular weight of 981.72 g/mol, XLogP of 5.30, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;azanide;copper;copper(1+);2-(3,6-dihydro-2H-pyridin-1-id-6-yl)-3,5,6-tri(piperidin-1-id-2-yl)piperazine-1,4-diide;(dihydroxy(oxo)vanadio)oxy-dihydroxy-oxovanadium;vanadium is sourced from PubChem (CID 6395458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).