magnesium;[2-[6-[4-[bis(4-chlorophenyl)methyl]piperidin-1-yl]hexylamino]-2-oxoethyl] acetate;hydride

C28H38Cl2MgN2O3 — CID 173439196

IUPACmagnesium;[2-[6-[4-[bis(4-chlorophenyl)methyl]piperidin-1-yl]hexylamino]-2-oxoethyl] acetate;hydride
SMILESCC(=O)OCC(=O)NCCCCCCN1CCC(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1.[H-].[H-].[Mg+2]
InChIInChI=1S/C28H36Cl2N2O3.Mg.2H/c1-21(33)35-20-27(34)31-16-4-2-3-5-17-32-18-14-24(15-19-32)28(22-6-10-25(29)11-7-22)23-8-12-26(30)13-9-23;;;/h6-13,24,28H,2-5,14-20H2,1H3,(H,31,34);;;/q;+2;2*-1
InChIKeyTZNOYZPIBBWOHH-UHFFFAOYSA-N
MW545.83 g/mol
LogP5.92
Rot. Bonds12

About magnesium;[2-[6-[4-[bis(4-chlorophenyl)methyl]piperidin-1-yl]hexylamino]-2-oxoethyl] acetate;hydride

magnesium;[2-[6-[4-[bis(4-chlorophenyl)methyl]piperidin-1-yl]hexylamino]-2-oxoethyl] acetate;hydride (PubChem CID 173439196) has the molecular formula C28H38Cl2MgN2O3 and a molecular weight of 545.83 g/mol. Its IUPAC name is magnesium;[2-[6-[4-[bis(4-chlorophenyl)methyl]piperidin-1-yl]hexylamino]-2-oxoethyl] acetate;hydride.

Molecular Properties

Compound Namemagnesium;[2-[6-[4-[bis(4-chlorophenyl)methyl]piperidin-1-yl]hexylamino]-2-oxoethyl] acetate;hydride
PubChem CID173439196
Molecular FormulaC28H38Cl2MgN2O3
Molecular Weight545.83 g/mol
Exact Mass544.21
IUPAC Namemagnesium;[2-[6-[4-[bis(4-chlorophenyl)methyl]piperidin-1-yl]hexylamino]-2-oxoethyl] acetate;hydride
SMILESCC(=O)OCC(=O)NCCCCCCN1CCC(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1.[H-].[H-].[Mg+2]
InChIInChI=1S/C28H36Cl2N2O3.Mg.2H/c1-21(33)35-20-27(34)31-16-4-2-3-5-17-32-18-14-24(15-19-32)28(22-6-10-25(29)11-7-22)23-8-12-26(30)13-9-23;;;/h6-13,24,28H,2-5,14-20H2,1H3,(H,31,34);;;/q;+2;2*-1
InChIKeyTZNOYZPIBBWOHH-UHFFFAOYSA-N
XLogP5.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.83
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze magnesium;[2-[6-[4-[bis(4-chlorophenyl)methyl]piperidin-1-yl]hexylamino]-2-oxoethyl] acetate;hydride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

magnesium bis(2-[2-[6-[4-[bis(4-chlorophenyl)methyl]piperidin-1-yl]hexylamino]-2-oxoethoxy]acetate)
CID 88769876
2-[2-[2-(4-benzhydrylpiperidin-1-yl)ethylamino]-2-oxoethoxy]acetic acid;hydrobromide
CID 20558882
N-[3-(4-benzylpiperidin-1-yl)propyl]-2,2-bis(4-chlorophenyl)acetamide
CID 122188500
4-(4-benzhydrylpiperidin-1-yl)butan-1-amine
CID 21192630
[2-oxo-2-(pentadecylamino)ethyl] acetate
CID 11088732
3-acetamido-3-(4-chlorophenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide
CID 55717805
2,2-bis(4-chlorophenyl)-N-[3-[4-(2-methylphenyl)piperidin-1-yl]propyl]acetamide
CID 141092531
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7209221
N-[7-[4-(4-acetylphenyl)piperazin-1-yl]heptyl]-2-propan-2-yloxyacetamide
CID 155249167
N-butyl-2-(4-chlorophenyl)-2-cyclopropylacetamide
CID 110301065
3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)propanamide
CID 110443247
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 20968372

Frequently Asked Questions

What is the IUPAC name of magnesium;[2-[6-[4-[bis(4-chlorophenyl)methyl]piperidin-1-yl]hexylamino]-2-oxoethyl] acetate;hydride?
The IUPAC name of magnesium;[2-[6-[4-[bis(4-chlorophenyl)methyl]piperidin-1-yl]hexylamino]-2-oxoethyl] acetate;hydride (CID 173439196) is magnesium;[2-[6-[4-[bis(4-chlorophenyl)methyl]piperidin-1-yl]hexylamino]-2-oxoethyl] acetate;hydride.
What is the SMILES notation for magnesium;[2-[6-[4-[bis(4-chlorophenyl)methyl]piperidin-1-yl]hexylamino]-2-oxoethyl] acetate;hydride?
The canonical SMILES for magnesium;[2-[6-[4-[bis(4-chlorophenyl)methyl]piperidin-1-yl]hexylamino]-2-oxoethyl] acetate;hydride is CC(=O)OCC(=O)NCCCCCCN1CCC(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;[2-[6-[4-[bis(4-chlorophenyl)methyl]piperidin-1-yl]hexylamino]-2-oxoethyl] acetate;hydride?
The InChIKey is TZNOYZPIBBWOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36Cl2N2O3.Mg.2H/c1-21(33)35-20-27(34)31-16-4-2-3-5-17-32-18-14-24(15-19-32)28(22-6-10-25(29)11-7-22)23-8-12-26(30)13-9-23;;;/h6-13,24,28H,2-5,14-20H2,1H3,(H,31,34);;;/q;+2;2*-1.
What are the key properties of magnesium;[2-[6-[4-[bis(4-chlorophenyl)methyl]piperidin-1-yl]hexylamino]-2-oxoethyl] acetate;hydride?
magnesium;[2-[6-[4-[bis(4-chlorophenyl)methyl]piperidin-1-yl]hexylamino]-2-oxoethyl] acetate;hydride has a molecular weight of 545.83 g/mol, XLogP of 5.92, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;[2-[6-[4-[bis(4-chlorophenyl)methyl]piperidin-1-yl]hexylamino]-2-oxoethyl] acetate;hydride is sourced from PubChem (CID 173439196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).