chlorocopper(1+);2-[methoxy-di(piperidin-1-id-2-yl)methyl]-6-(methoxy-piperidin-1-id-2-yl-pyridin-2-ylmethyl)-2H-pyridin-1-ide

C29H41ClCuN5O2-3 — CID 5232948

IUPACchlorocopper(1+);2-[methoxy-di(piperidin-1-id-2-yl)methyl]-6-(methoxy-piperidin-1-id-2-yl-pyridin-2-ylmethyl)-2H-pyridin-1-ide
SMILESCOC(C1=CC=CC(C(OC)(C2CCCC[N-]2)C2CCCC[N-]2)[N-]1)(c1ccccn1)C1CCCC[N-]1.Cl[Cu+]
InChIInChI=1S/C29H41N5O2.ClH.Cu/c1-35-28(22-12-3-7-18-30-22,23-13-4-8-19-31-23)26-16-11-17-27(34-26)29(36-2,24-14-5-9-20-32-24)25-15-6-10-21-33-25;;/h3,7,11-12,16-18,23-25,27H,4-6,8-10,13-15,19-21H2,1-2H3;1H;/q-4;;+2/p-1
InChIKeyJEZZVTZYIXRRFP-UHFFFAOYSA-M
MW590.68 g/mol
LogP6.97
Rot. Bonds8

About chlorocopper(1+);2-[methoxy-di(piperidin-1-id-2-yl)methyl]-6-(methoxy-piperidin-1-id-2-yl-pyridin-2-ylmethyl)-2H-pyridin-1-ide

chlorocopper(1+);2-[methoxy-di(piperidin-1-id-2-yl)methyl]-6-(methoxy-piperidin-1-id-2-yl-pyridin-2-ylmethyl)-2H-pyridin-1-ide (PubChem CID 5232948) has the molecular formula C29H41ClCuN5O2-3 and a molecular weight of 590.68 g/mol. Its IUPAC name is chlorocopper(1+);2-[methoxy-di(piperidin-1-id-2-yl)methyl]-6-(methoxy-piperidin-1-id-2-yl-pyridin-2-ylmethyl)-2H-pyridin-1-ide.

Molecular Properties

Compound Namechlorocopper(1+);2-[methoxy-di(piperidin-1-id-2-yl)methyl]-6-(methoxy-piperidin-1-id-2-yl-pyridin-2-ylmethyl)-2H-pyridin-1-ide
PubChem CID5232948
Molecular FormulaC29H41ClCuN5O2-3
Molecular Weight590.68 g/mol
Exact Mass589.23
IUPAC Namechlorocopper(1+);2-[methoxy-di(piperidin-1-id-2-yl)methyl]-6-(methoxy-piperidin-1-id-2-yl-pyridin-2-ylmethyl)-2H-pyridin-1-ide
SMILESCOC(C1=CC=CC(C(OC)(C2CCCC[N-]2)C2CCCC[N-]2)[N-]1)(c1ccccn1)C1CCCC[N-]1.Cl[Cu+]
InChIInChI=1S/C29H41N5O2.ClH.Cu/c1-35-28(22-12-3-7-18-30-22,23-13-4-8-19-31-23)26-16-11-17-27(34-26)29(36-2,24-14-5-9-20-32-24)25-15-6-10-21-33-25;;/h3,7,11-12,16-18,23-25,27H,4-6,8-10,13-15,19-21H2,1-2H3;1H;/q-4;;+2/p-1
InChIKeyJEZZVTZYIXRRFP-UHFFFAOYSA-M
XLogP6.97
TPSA87.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.68
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of chlorocopper(1+);2-[methoxy-di(piperidin-1-id-2-yl)methyl]-6-(methoxy-piperidin-1-id-2-yl-pyridin-2-ylmethyl)-2H-pyridin-1-ide?
The IUPAC name of chlorocopper(1+);2-[methoxy-di(piperidin-1-id-2-yl)methyl]-6-(methoxy-piperidin-1-id-2-yl-pyridin-2-ylmethyl)-2H-pyridin-1-ide (CID 5232948) is chlorocopper(1+);2-[methoxy-di(piperidin-1-id-2-yl)methyl]-6-(methoxy-piperidin-1-id-2-yl-pyridin-2-ylmethyl)-2H-pyridin-1-ide.
What is the SMILES notation for chlorocopper(1+);2-[methoxy-di(piperidin-1-id-2-yl)methyl]-6-(methoxy-piperidin-1-id-2-yl-pyridin-2-ylmethyl)-2H-pyridin-1-ide?
The canonical SMILES for chlorocopper(1+);2-[methoxy-di(piperidin-1-id-2-yl)methyl]-6-(methoxy-piperidin-1-id-2-yl-pyridin-2-ylmethyl)-2H-pyridin-1-ide is COC(C1=CC=CC(C(OC)(C2CCCC[N-]2)C2CCCC[N-]2)[N-]1)(c1ccccn1)C1CCCC[N-]1.Cl[Cu+].
What is the InChIKey of chlorocopper(1+);2-[methoxy-di(piperidin-1-id-2-yl)methyl]-6-(methoxy-piperidin-1-id-2-yl-pyridin-2-ylmethyl)-2H-pyridin-1-ide?
The InChIKey is JEZZVTZYIXRRFP-UHFFFAOYSA-M. The full InChI is InChI=1S/C29H41N5O2.ClH.Cu/c1-35-28(22-12-3-7-18-30-22,23-13-4-8-19-31-23)26-16-11-17-27(34-26)29(36-2,24-14-5-9-20-32-24)25-15-6-10-21-33-25;;/h3,7,11-12,16-18,23-25,27H,4-6,8-10,13-15,19-21H2,1-2H3;1H;/q-4;;+2/p-1.
What are the key properties of chlorocopper(1+);2-[methoxy-di(piperidin-1-id-2-yl)methyl]-6-(methoxy-piperidin-1-id-2-yl-pyridin-2-ylmethyl)-2H-pyridin-1-ide?
chlorocopper(1+);2-[methoxy-di(piperidin-1-id-2-yl)methyl]-6-(methoxy-piperidin-1-id-2-yl-pyridin-2-ylmethyl)-2H-pyridin-1-ide has a molecular weight of 590.68 g/mol, XLogP of 6.97, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chlorocopper(1+);2-[methoxy-di(piperidin-1-id-2-yl)methyl]-6-(methoxy-piperidin-1-id-2-yl-pyridin-2-ylmethyl)-2H-pyridin-1-ide is sourced from PubChem (CID 5232948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).