trisodium;argon;tert-butyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;methyl 2-phenyl-2-piperidin-2-ylacetate;bis(2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-2-phenylacetate);2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-2-phenylacetic acid;7-phenyl-1-azabicyclo[4.2.0]octan-8-one;1-[(2Z)-2-phenyl-2-(sulfinatohydrazinylidene)acetyl]piperidine;hydroxide

C124H173ArN9Na3O28S- — CID 172972625

IUPACtrisodium;argon;tert-butyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;methyl 2-phenyl-2-piperidin-2-ylacetate;bis(2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-2-phenylacetate);2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-2-phenylacetic acid;7-phenyl-1-azabicyclo[4.2.0]octan-8-one;1-[(2Z)-2-phenyl-2-(sulfinatohydrazinylidene)acetyl]piperidine;hydroxide
SMILESC.CC(C)(C)OC(=O)N1CCCCC1C(C(=O)O)c1ccccc1.CC(C)(C)OC(=O)N1CCCCC1C(C(=O)[O-])c1ccccc1.CC(C)(C)OC(=O)N1CCCCC1C(C(=O)[O-])c1ccccc1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.COC(=O)C(c1ccccc1)C1CCCCN1.COC(=O)C(c1ccccc1)C1CCCCN1C(=O)OC(C)(C)C.O=C(/C(=N\NS(=O)[O-])c1ccccc1)N1CCCCC1.O=C1C(c2ccccc2)C2CCCCN12.[Ar].[Na+].[Na+].[Na+].[OH-]
InChIInChI=1S/C19H27NO4.3C18H25NO4.C14H19NO2.C13H17N3O3S.C13H15NO.C10H18O5.CH4.Ar.3Na.H2O/c1-19(2,3)24-18(22)20-13-9-8-12-15(20)16(17(21)23-4)14-10-6-5-7-11-14;3*1-18(2,3)23-17(22)19-12-8-7-11-14(19)15(16(20)21)13-9-5-4-6-10-13;1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12;17-13(16-9-5-2-6-10-16)12(14-15-20(18)19)11-7-3-1-4-8-11;15-13-12(10-6-2-1-3-7-10)11-8-4-5-9-14(11)13;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;;;;;;/h5-7,10-11,15-16H,8-9,12-13H2,1-4H3;3*4-6,9-10,14-15H,7-8,11-12H2,1-3H3,(H,20,21);2-4,7-8,12-13,15H,5-6,9-10H2,1H3;1,3-4,7-8,15H,2,5-6,9-10H2,(H,18,19);1-3,6-7,11-12H,4-5,8-9H2;1-6H3;1H4;;;;;1H2/q;;;;;;;;;;3*+1;/p-4/b;;;;;14-12-;;;;;;;;
InChIKeyASCZLGVCPIHUFY-TXMZUCTPSA-J
MW2378.77 g/mol
LogP11.38
Rot. Bonds20

About trisodium;argon;tert-butyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;methyl 2-phenyl-2-piperidin-2-ylacetate;bis(2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-2-phenylacetate);2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-2-phenylacetic acid;7-phenyl-1-azabicyclo[4.2.0]octan-8-one;1-[(2Z)-2-phenyl-2-(sulfinatohydrazinylidene)acetyl]piperidine;hydroxide

trisodium;argon;tert-butyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;methyl 2-phenyl-2-piperidin-2-ylacetate;bis(2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-2-phenylacetate);2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-2-phenylacetic acid;7-phenyl-1-azabicyclo[4.2.0]octan-8-one;1-[(2Z)-2-phenyl-2-(sulfinatohydrazinylidene)acetyl]piperidine;hydroxide (PubChem CID 172972625) has the molecular formula C124H173ArN9Na3O28S- and a molecular weight of 2378.77 g/mol. Its IUPAC name is trisodium;argon;tert-butyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;methyl 2-phenyl-2-piperidin-2-ylacetate;bis(2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-2-phenylacetate);2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-2-phenylacetic acid;7-phenyl-1-azabicyclo[4.2.0]octan-8-one;1-[(2Z)-2-phenyl-2-(sulfinatohydrazinylidene)acetyl]piperidine;hydroxide.

Molecular Properties

Compound Nametrisodium;argon;tert-butyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;methyl 2-phenyl-2-piperidin-2-ylacetate;bis(2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-2-phenylacetate);2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-2-phenylacetic acid;7-phenyl-1-azabicyclo[4.2.0]octan-8-one;1-[(2Z)-2-phenyl-2-(sulfinatohydrazinylidene)acetyl]piperidine;hydroxide
PubChem CID172972625
Molecular FormulaC124H173ArN9Na3O28S-
Molecular Weight2378.77 g/mol
Exact Mass2377.14
IUPAC Nametrisodium;argon;tert-butyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;methyl 2-phenyl-2-piperidin-2-ylacetate;bis(2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-2-phenylacetate);2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-2-phenylacetic acid;7-phenyl-1-azabicyclo[4.2.0]octan-8-one;1-[(2Z)-2-phenyl-2-(sulfinatohydrazinylidene)acetyl]piperidine;hydroxide
SMILESC.CC(C)(C)OC(=O)N1CCCCC1C(C(=O)O)c1ccccc1.CC(C)(C)OC(=O)N1CCCCC1C(C(=O)[O-])c1ccccc1.CC(C)(C)OC(=O)N1CCCCC1C(C(=O)[O-])c1ccccc1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.COC(=O)C(c1ccccc1)C1CCCCN1.COC(=O)C(c1ccccc1)C1CCCCN1C(=O)OC(C)(C)C.O=C(/C(=N\NS(=O)[O-])c1ccccc1)N1CCCCC1.O=C1C(c2ccccc2)C2CCCCN12.[Ar].[Na+].[Na+].[Na+].[OH-]
InChIInChI=1S/C19H27NO4.3C18H25NO4.C14H19NO2.C13H17N3O3S.C13H15NO.C10H18O5.CH4.Ar.3Na.H2O/c1-19(2,3)24-18(22)20-13-9-8-12-15(20)16(17(21)23-4)14-10-6-5-7-11-14;3*1-18(2,3)23-17(22)19-12-8-7-11-14(19)15(16(20)21)13-9-5-4-6-10-13;1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12;17-13(16-9-5-2-6-10-16)12(14-15-20(18)19)11-7-3-1-4-8-11;15-13-12(10-6-2-1-3-7-10)11-8-4-5-9-14(11)13;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;;;;;;/h5-7,10-11,15-16H,8-9,12-13H2,1-4H3;3*4-6,9-10,14-15H,7-8,11-12H2,1-3H3,(H,20,21);2-4,7-8,12-13,15H,5-6,9-10H2,1H3;1,3-4,7-8,15H,2,5-6,9-10H2,(H,18,19);1-3,6-7,11-12H,4-5,8-9H2;1-6H3;1H4;;;;;1H2/q;;;;;;;;;;3*+1;/p-4/b;;;;;14-12-;;;;;;;;
InChIKeyASCZLGVCPIHUFY-TXMZUCTPSA-J
XLogP11.38
TPSA497.32 Ų
H-Bond Donors3
H-Bond Acceptors29
Rotatable Bonds20
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002378.77
LogP ≤ 511.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze trisodium;argon;tert-butyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;methyl 2-phenyl-2-piperidin-2-ylacetate;bis(2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-2-phenylacetate);2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-2-phenylacetic acid;7-phenyl-1-azabicyclo[4.2.0]octan-8-one;1-[(2Z)-2-phenyl-2-(sulfinatohydrazinylidene)acetyl]piperidine;hydroxide 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

tert-butyl (2S)-2-[(1S)-2-methoxy-2-oxo-1-phenylethyl]piperidine-1-carboxylate
CID 11067588
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-2-phenylacetic acid
CID 58913468
methyl 2-phenyl-2-piperidin-2-ylacetate
CID 4158
[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl] 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate
CID 130215972
tert-butyl 2-[hydroxy(phenyl)methyl]azepane-1-carboxylate
CID 21106393
(2S)-2-(4-methylphenyl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]acetic acid
CID 169028130
tert-butyl 2-(1-hydroxy-1-phenylpropan-2-yl)piperidine-1-carboxylate
CID 103724645
2-acetamidoethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate
CID 90368050
methyl (2R)-2-(4-tert-butylphenyl)-2-[(2R)-piperidin-2-yl]acetate
CID 52943877
propan-2-one;pyridin-1-ium-1-ylmethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate
CID 158901829
[3-[[1,3-bis[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]pyridin-1-ium-1-yl]methyl (2R)-2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate
CID 155011716
tert-butyl (2S)-2-[(S)-amino(phenyl)methyl]pyrrolidine-1-carboxylate
CID 95479256

Frequently Asked Questions

What is the IUPAC name of trisodium;argon;tert-butyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;methyl 2-phenyl-2-piperidin-2-ylacetate;bis(2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-2-phenylacetate);2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-2-phenylacetic acid;7-phenyl-1-azabicyclo[4.2.0]octan-8-one;1-[(2Z)-2-phenyl-2-(sulfinatohydrazinylidene)acetyl]piperidine;hydroxide?
The IUPAC name of trisodium;argon;tert-butyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;methyl 2-phenyl-2-piperidin-2-ylacetate;bis(2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-2-phenylacetate);2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-2-phenylacetic acid;7-phenyl-1-azabicyclo[4.2.0]octan-8-one;1-[(2Z)-2-phenyl-2-(sulfinatohydrazinylidene)acetyl]piperidine;hydroxide (CID 172972625) is trisodium;argon;tert-butyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;methyl 2-phenyl-2-piperidin-2-ylacetate;bis(2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-2-phenylacetate);2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-2-phenylacetic acid;7-phenyl-1-azabicyclo[4.2.0]octan-8-one;1-[(2Z)-2-phenyl-2-(sulfinatohydrazinylidene)acetyl]piperidine;hydroxide.
What is the SMILES notation for trisodium;argon;tert-butyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;methyl 2-phenyl-2-piperidin-2-ylacetate;bis(2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-2-phenylacetate);2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-2-phenylacetic acid;7-phenyl-1-azabicyclo[4.2.0]octan-8-one;1-[(2Z)-2-phenyl-2-(sulfinatohydrazinylidene)acetyl]piperidine;hydroxide?
The canonical SMILES for trisodium;argon;tert-butyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;methyl 2-phenyl-2-piperidin-2-ylacetate;bis(2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-2-phenylacetate);2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-2-phenylacetic acid;7-phenyl-1-azabicyclo[4.2.0]octan-8-one;1-[(2Z)-2-phenyl-2-(sulfinatohydrazinylidene)acetyl]piperidine;hydroxide is C.CC(C)(C)OC(=O)N1CCCCC1C(C(=O)O)c1ccccc1.CC(C)(C)OC(=O)N1CCCCC1C(C(=O)[O-])c1ccccc1.CC(C)(C)OC(=O)N1CCCCC1C(C(=O)[O-])c1ccccc1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.COC(=O)C(c1ccccc1)C1CCCCN1.COC(=O)C(c1ccccc1)C1CCCCN1C(=O)OC(C)(C)C.O=C(/C(=N\NS(=O)[O-])c1ccccc1)N1CCCCC1.O=C1C(c2ccccc2)C2CCCCN12.[Ar].[Na+].[Na+].[Na+].[OH-].
What is the InChIKey of trisodium;argon;tert-butyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;methyl 2-phenyl-2-piperidin-2-ylacetate;bis(2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-2-phenylacetate);2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-2-phenylacetic acid;7-phenyl-1-azabicyclo[4.2.0]octan-8-one;1-[(2Z)-2-phenyl-2-(sulfinatohydrazinylidene)acetyl]piperidine;hydroxide?
The InChIKey is ASCZLGVCPIHUFY-TXMZUCTPSA-J. The full InChI is InChI=1S/C19H27NO4.3C18H25NO4.C14H19NO2.C13H17N3O3S.C13H15NO.C10H18O5.CH4.Ar.3Na.H2O/c1-19(2,3)24-18(22)20-13-9-8-12-15(20)16(17(21)23-4)14-10-6-5-7-11-14;3*1-18(2,3)23-17(22)19-12-8-7-11-14(19)15(16(20)21)13-9-5-4-6-10-13;1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12;17-13(16-9-5-2-6-10-16)12(14-15-20(18)19)11-7-3-1-4-8-11;15-13-12(10-6-2-1-3-7-10)11-8-4-5-9-14(11)13;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;;;;;;/h5-7,10-11,15-16H,8-9,12-13H2,1-4H3;3*4-6,9-10,14-15H,7-8,11-12H2,1-3H3,(H,20,21);2-4,7-8,12-13,15H,5-6,9-10H2,1H3;1,3-4,7-8,15H,2,5-6,9-10H2,(H,18,19);1-3,6-7,11-12H,4-5,8-9H2;1-6H3;1H4;;;;;1H2/q;;;;;;;;;;3*+1;/p-4/b;;;;;14-12-;;;;;;;;.
What are the key properties of trisodium;argon;tert-butyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;methyl 2-phenyl-2-piperidin-2-ylacetate;bis(2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-2-phenylacetate);2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-2-phenylacetic acid;7-phenyl-1-azabicyclo[4.2.0]octan-8-one;1-[(2Z)-2-phenyl-2-(sulfinatohydrazinylidene)acetyl]piperidine;hydroxide?
trisodium;argon;tert-butyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;methyl 2-phenyl-2-piperidin-2-ylacetate;bis(2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-2-phenylacetate);2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-2-phenylacetic acid;7-phenyl-1-azabicyclo[4.2.0]octan-8-one;1-[(2Z)-2-phenyl-2-(sulfinatohydrazinylidene)acetyl]piperidine;hydroxide has a molecular weight of 2378.77 g/mol, XLogP of 11.38, 20 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;argon;tert-butyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;methyl 2-phenyl-2-piperidin-2-ylacetate;bis(2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-2-phenylacetate);2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-2-phenylacetic acid;7-phenyl-1-azabicyclo[4.2.0]octan-8-one;1-[(2Z)-2-phenyl-2-(sulfinatohydrazinylidene)acetyl]piperidine;hydroxide is sourced from PubChem (CID 172972625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).