sodium;[4-[(4-chlorophenyl)methylidene]piperidin-1-yl]-(1H-indol-5-yl)methanone;[4-[(4-chlorophenyl)methylidene]piperidin-1-yl]-methylborinic acid;(4-chlorophenyl)methyl-methyl-oxophosphanium;[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone;hydride;1H-indole-5-carboxylic acid;methyl-(4-oxopiperidin-1-yl)borinic acid;molecular hydrogen

C78H88B2Cl4N7NaO8P+ — CID 161078634

IUPACsodium;[4-[(4-chlorophenyl)methylidene]piperidin-1-yl]-(1H-indol-5-yl)methanone;[4-[(4-chlorophenyl)methylidene]piperidin-1-yl]-methylborinic acid;(4-chlorophenyl)methyl-methyl-oxophosphanium;[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone;hydride;1H-indole-5-carboxylic acid;methyl-(4-oxopiperidin-1-yl)borinic acid;molecular hydrogen
SMILESCB(O)N1CCC(=Cc2ccc(Cl)cc2)CC1.CB(O)N1CCC(=O)CC1.C[P+](=O)Cc1ccc(Cl)cc1.O=C(O)c1ccc2[nH]ccc2c1.O=C(c1ccc2[nH]ccc2c1)N1CCC(=Cc2ccc(Cl)cc2)CC1.O=C(c1ccc2[nH]ccc2c1)N1CCC(Cc2ccc(Cl)cc2)CC1.[H-].[H][H].[Na+]
InChIInChI=1S/C21H21ClN2O.C21H19ClN2O.C13H17BClNO.C9H7NO2.C8H9ClOP.C6H12BNO2.Na.H2.H/c2*22-19-4-1-15(2-5-19)13-16-8-11-24(12-9-16)21(25)18-3-6-20-17(14-18)7-10-23-20;1-14(17)16-8-6-12(7-9-16)10-11-2-4-13(15)5-3-11;11-9(12)7-1-2-8-6(5-7)3-4-10-8;1-11(10)6-7-2-4-8(9)5-3-7;1-7(10)8-4-2-6(9)3-5-8;;;/h1-7,10,14,16,23H,8-9,11-13H2;1-7,10,13-14,23H,8-9,11-12H2;2-5,10,17H,6-9H2,1H3;1-5,10H,(H,11,12);2-5H,6H2,1H3;10H,2-5H2,1H3;;1H;/q;;;;+1;;+1;;-1
InChIKeyTWMGUSOISKWUSR-UHFFFAOYSA-N
MW1469.00 g/mol
LogP15.27
Rot. Bonds11

About sodium;[4-[(4-chlorophenyl)methylidene]piperidin-1-yl]-(1H-indol-5-yl)methanone;[4-[(4-chlorophenyl)methylidene]piperidin-1-yl]-methylborinic acid;(4-chlorophenyl)methyl-methyl-oxophosphanium;[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone;hydride;1H-indole-5-carboxylic acid;methyl-(4-oxopiperidin-1-yl)borinic acid;molecular hydrogen

sodium;[4-[(4-chlorophenyl)methylidene]piperidin-1-yl]-(1H-indol-5-yl)methanone;[4-[(4-chlorophenyl)methylidene]piperidin-1-yl]-methylborinic acid;(4-chlorophenyl)methyl-methyl-oxophosphanium;[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone;hydride;1H-indole-5-carboxylic acid;methyl-(4-oxopiperidin-1-yl)borinic acid;molecular hydrogen (PubChem CID 161078634) has the molecular formula C78H88B2Cl4N7NaO8P+ and a molecular weight of 1469.00 g/mol. Its IUPAC name is sodium;[4-[(4-chlorophenyl)methylidene]piperidin-1-yl]-(1H-indol-5-yl)methanone;[4-[(4-chlorophenyl)methylidene]piperidin-1-yl]-methylborinic acid;(4-chlorophenyl)methyl-methyl-oxophosphanium;[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone;hydride;1H-indole-5-carboxylic acid;methyl-(4-oxopiperidin-1-yl)borinic acid;molecular hydrogen.

Molecular Properties

Compound Namesodium;[4-[(4-chlorophenyl)methylidene]piperidin-1-yl]-(1H-indol-5-yl)methanone;[4-[(4-chlorophenyl)methylidene]piperidin-1-yl]-methylborinic acid;(4-chlorophenyl)methyl-methyl-oxophosphanium;[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone;hydride;1H-indole-5-carboxylic acid;methyl-(4-oxopiperidin-1-yl)borinic acid;molecular hydrogen
PubChem CID161078634
Molecular FormulaC78H88B2Cl4N7NaO8P+
Molecular Weight1469.00 g/mol
Exact Mass1466.53
IUPAC Namesodium;[4-[(4-chlorophenyl)methylidene]piperidin-1-yl]-(1H-indol-5-yl)methanone;[4-[(4-chlorophenyl)methylidene]piperidin-1-yl]-methylborinic acid;(4-chlorophenyl)methyl-methyl-oxophosphanium;[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone;hydride;1H-indole-5-carboxylic acid;methyl-(4-oxopiperidin-1-yl)borinic acid;molecular hydrogen
SMILESCB(O)N1CCC(=Cc2ccc(Cl)cc2)CC1.CB(O)N1CCC(=O)CC1.C[P+](=O)Cc1ccc(Cl)cc1.O=C(O)c1ccc2[nH]ccc2c1.O=C(c1ccc2[nH]ccc2c1)N1CCC(=Cc2ccc(Cl)cc2)CC1.O=C(c1ccc2[nH]ccc2c1)N1CCC(Cc2ccc(Cl)cc2)CC1.[H-].[H][H].[Na+]
InChIInChI=1S/C21H21ClN2O.C21H19ClN2O.C13H17BClNO.C9H7NO2.C8H9ClOP.C6H12BNO2.Na.H2.H/c2*22-19-4-1-15(2-5-19)13-16-8-11-24(12-9-16)21(25)18-3-6-20-17(14-18)7-10-23-20;1-14(17)16-8-6-12(7-9-16)10-11-2-4-13(15)5-3-11;11-9(12)7-1-2-8-6(5-7)3-4-10-8;1-11(10)6-7-2-4-8(9)5-3-7;1-7(10)8-4-2-6(9)3-5-8;;;/h1-7,10,14,16,23H,8-9,11-13H2;1-7,10,13-14,23H,8-9,11-12H2;2-5,10,17H,6-9H2,1H3;1-5,10H,(H,11,12);2-5H,6H2,1H3;10H,2-5H2,1H3;;1H;/q;;;;+1;;+1;;-1
InChIKeyTWMGUSOISKWUSR-UHFFFAOYSA-N
XLogP15.27
TPSA206.37 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001469.00
LogP ≤ 515.27
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze sodium;[4-[(4-chlorophenyl)methylidene]piperidin-1-yl]-(1H-indol-5-yl)methanone;[4-[(4-chlorophenyl)methylidene]piperidin-1-yl]-methylborinic acid;(4-chlorophenyl)methyl-methyl-oxophosphanium;[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone;hydride;1H-indole-5-carboxylic acid;methyl-(4-oxopiperidin-1-yl)borinic acid;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of sodium;[4-[(4-chlorophenyl)methylidene]piperidin-1-yl]-(1H-indol-5-yl)methanone;[4-[(4-chlorophenyl)methylidene]piperidin-1-yl]-methylborinic acid;(4-chlorophenyl)methyl-methyl-oxophosphanium;[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone;hydride;1H-indole-5-carboxylic acid;methyl-(4-oxopiperidin-1-yl)borinic acid;molecular hydrogen?
The IUPAC name of sodium;[4-[(4-chlorophenyl)methylidene]piperidin-1-yl]-(1H-indol-5-yl)methanone;[4-[(4-chlorophenyl)methylidene]piperidin-1-yl]-methylborinic acid;(4-chlorophenyl)methyl-methyl-oxophosphanium;[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone;hydride;1H-indole-5-carboxylic acid;methyl-(4-oxopiperidin-1-yl)borinic acid;molecular hydrogen (CID 161078634) is sodium;[4-[(4-chlorophenyl)methylidene]piperidin-1-yl]-(1H-indol-5-yl)methanone;[4-[(4-chlorophenyl)methylidene]piperidin-1-yl]-methylborinic acid;(4-chlorophenyl)methyl-methyl-oxophosphanium;[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone;hydride;1H-indole-5-carboxylic acid;methyl-(4-oxopiperidin-1-yl)borinic acid;molecular hydrogen.
What is the SMILES notation for sodium;[4-[(4-chlorophenyl)methylidene]piperidin-1-yl]-(1H-indol-5-yl)methanone;[4-[(4-chlorophenyl)methylidene]piperidin-1-yl]-methylborinic acid;(4-chlorophenyl)methyl-methyl-oxophosphanium;[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone;hydride;1H-indole-5-carboxylic acid;methyl-(4-oxopiperidin-1-yl)borinic acid;molecular hydrogen?
The canonical SMILES for sodium;[4-[(4-chlorophenyl)methylidene]piperidin-1-yl]-(1H-indol-5-yl)methanone;[4-[(4-chlorophenyl)methylidene]piperidin-1-yl]-methylborinic acid;(4-chlorophenyl)methyl-methyl-oxophosphanium;[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone;hydride;1H-indole-5-carboxylic acid;methyl-(4-oxopiperidin-1-yl)borinic acid;molecular hydrogen is CB(O)N1CCC(=Cc2ccc(Cl)cc2)CC1.CB(O)N1CCC(=O)CC1.C[P+](=O)Cc1ccc(Cl)cc1.O=C(O)c1ccc2[nH]ccc2c1.O=C(c1ccc2[nH]ccc2c1)N1CCC(=Cc2ccc(Cl)cc2)CC1.O=C(c1ccc2[nH]ccc2c1)N1CCC(Cc2ccc(Cl)cc2)CC1.[H-].[H][H].[Na+].
What is the InChIKey of sodium;[4-[(4-chlorophenyl)methylidene]piperidin-1-yl]-(1H-indol-5-yl)methanone;[4-[(4-chlorophenyl)methylidene]piperidin-1-yl]-methylborinic acid;(4-chlorophenyl)methyl-methyl-oxophosphanium;[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone;hydride;1H-indole-5-carboxylic acid;methyl-(4-oxopiperidin-1-yl)borinic acid;molecular hydrogen?
The InChIKey is TWMGUSOISKWUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O.C21H19ClN2O.C13H17BClNO.C9H7NO2.C8H9ClOP.C6H12BNO2.Na.H2.H/c2*22-19-4-1-15(2-5-19)13-16-8-11-24(12-9-16)21(25)18-3-6-20-17(14-18)7-10-23-20;1-14(17)16-8-6-12(7-9-16)10-11-2-4-13(15)5-3-11;11-9(12)7-1-2-8-6(5-7)3-4-10-8;1-11(10)6-7-2-4-8(9)5-3-7;1-7(10)8-4-2-6(9)3-5-8;;;/h1-7,10,14,16,23H,8-9,11-13H2;1-7,10,13-14,23H,8-9,11-12H2;2-5,10,17H,6-9H2,1H3;1-5,10H,(H,11,12);2-5H,6H2,1H3;10H,2-5H2,1H3;;1H;/q;;;;+1;;+1;;-1.
What are the key properties of sodium;[4-[(4-chlorophenyl)methylidene]piperidin-1-yl]-(1H-indol-5-yl)methanone;[4-[(4-chlorophenyl)methylidene]piperidin-1-yl]-methylborinic acid;(4-chlorophenyl)methyl-methyl-oxophosphanium;[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone;hydride;1H-indole-5-carboxylic acid;methyl-(4-oxopiperidin-1-yl)borinic acid;molecular hydrogen?
sodium;[4-[(4-chlorophenyl)methylidene]piperidin-1-yl]-(1H-indol-5-yl)methanone;[4-[(4-chlorophenyl)methylidene]piperidin-1-yl]-methylborinic acid;(4-chlorophenyl)methyl-methyl-oxophosphanium;[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone;hydride;1H-indole-5-carboxylic acid;methyl-(4-oxopiperidin-1-yl)borinic acid;molecular hydrogen has a molecular weight of 1469.00 g/mol, XLogP of 15.27, 11 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;[4-[(4-chlorophenyl)methylidene]piperidin-1-yl]-(1H-indol-5-yl)methanone;[4-[(4-chlorophenyl)methylidene]piperidin-1-yl]-methylborinic acid;(4-chlorophenyl)methyl-methyl-oxophosphanium;[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone;hydride;1H-indole-5-carboxylic acid;methyl-(4-oxopiperidin-1-yl)borinic acid;molecular hydrogen is sourced from PubChem (CID 161078634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).