dicesium;1-(4-amino-2-methylphenyl)piperidin-2-one;5-bromo-N-(2-methyl-4-nitrophenyl)pentanamide;5-bromopentanoyl chloride;ethenimine;hydride;2-methyl-4-nitroaniline;1-(2-methyl-4-nitrophenyl)piperidin-2-one;molecular hydrogen;oxido formate

C51H68Br2ClCs2N9O13 — CID 158520886

IUPACdicesium;1-(4-amino-2-methylphenyl)piperidin-2-one;5-bromo-N-(2-methyl-4-nitrophenyl)pentanamide;5-bromopentanoyl chloride;ethenimine;hydride;2-methyl-4-nitroaniline;1-(2-methyl-4-nitrophenyl)piperidin-2-one;molecular hydrogen;oxido formate
SMILESC=C=N.Cc1cc(N)ccc1N1CCCCC1=O.Cc1cc([N+](=O)[O-])ccc1N.Cc1cc([N+](=O)[O-])ccc1N1CCCCC1=O.Cc1cc([N+](=O)[O-])ccc1NC(=O)CCCCBr.O=C(Cl)CCCCBr.O=CO[O-].[Cs+].[Cs+].[H-].[H][H]
InChIInChI=1S/C12H15BrN2O3.C12H14N2O3.C12H16N2O.C7H8N2O2.C5H8BrClO.C2H3N.CH2O3.2Cs.H2.H/c1-9-8-10(15(17)18)5-6-11(9)14-12(16)4-2-3-7-13;1-9-8-10(14(16)17)5-6-11(9)13-7-3-2-4-12(13)15;1-9-8-10(13)5-6-11(9)14-7-3-2-4-12(14)15;1-5-4-6(9(10)11)2-3-7(5)8;6-4-2-1-3-5(7)8;1-2-3;2-1-4-3;;;;/h5-6,8H,2-4,7H2,1H3,(H,14,16);5-6,8H,2-4,7H2,1H3;5-6,8H,2-4,7,13H2,1H3;2-4H,8H2,1H3;1-4H2;3H,1H2;1,3H;;;1H;/q;;;;;;;2*+1;;-1/p-1
InChIKeyXLSLULDDBQZRGI-UHFFFAOYSA-M
MW1476.23 g/mol
LogP4.95
Rot. Bonds15

About dicesium;1-(4-amino-2-methylphenyl)piperidin-2-one;5-bromo-N-(2-methyl-4-nitrophenyl)pentanamide;5-bromopentanoyl chloride;ethenimine;hydride;2-methyl-4-nitroaniline;1-(2-methyl-4-nitrophenyl)piperidin-2-one;molecular hydrogen;oxido formate

dicesium;1-(4-amino-2-methylphenyl)piperidin-2-one;5-bromo-N-(2-methyl-4-nitrophenyl)pentanamide;5-bromopentanoyl chloride;ethenimine;hydride;2-methyl-4-nitroaniline;1-(2-methyl-4-nitrophenyl)piperidin-2-one;molecular hydrogen;oxido formate (PubChem CID 158520886) has the molecular formula C51H68Br2ClCs2N9O13 and a molecular weight of 1476.23 g/mol. Its IUPAC name is dicesium;1-(4-amino-2-methylphenyl)piperidin-2-one;5-bromo-N-(2-methyl-4-nitrophenyl)pentanamide;5-bromopentanoyl chloride;ethenimine;hydride;2-methyl-4-nitroaniline;1-(2-methyl-4-nitrophenyl)piperidin-2-one;molecular hydrogen;oxido formate.

Molecular Properties

Compound Namedicesium;1-(4-amino-2-methylphenyl)piperidin-2-one;5-bromo-N-(2-methyl-4-nitrophenyl)pentanamide;5-bromopentanoyl chloride;ethenimine;hydride;2-methyl-4-nitroaniline;1-(2-methyl-4-nitrophenyl)piperidin-2-one;molecular hydrogen;oxido formate
PubChem CID158520886
Molecular FormulaC51H68Br2ClCs2N9O13
Molecular Weight1476.23 g/mol
Exact Mass1473.11
IUPAC Namedicesium;1-(4-amino-2-methylphenyl)piperidin-2-one;5-bromo-N-(2-methyl-4-nitrophenyl)pentanamide;5-bromopentanoyl chloride;ethenimine;hydride;2-methyl-4-nitroaniline;1-(2-methyl-4-nitrophenyl)piperidin-2-one;molecular hydrogen;oxido formate
SMILESC=C=N.Cc1cc(N)ccc1N1CCCCC1=O.Cc1cc([N+](=O)[O-])ccc1N.Cc1cc([N+](=O)[O-])ccc1N1CCCCC1=O.Cc1cc([N+](=O)[O-])ccc1NC(=O)CCCCBr.O=C(Cl)CCCCBr.O=CO[O-].[Cs+].[Cs+].[H-].[H][H]
InChIInChI=1S/C12H15BrN2O3.C12H14N2O3.C12H16N2O.C7H8N2O2.C5H8BrClO.C2H3N.CH2O3.2Cs.H2.H/c1-9-8-10(15(17)18)5-6-11(9)14-12(16)4-2-3-7-13;1-9-8-10(14(16)17)5-6-11(9)13-7-3-2-4-12(13)15;1-9-8-10(13)5-6-11(9)14-7-3-2-4-12(14)15;1-5-4-6(9(10)11)2-3-7(5)8;6-4-2-1-3-5(7)8;1-2-3;2-1-4-3;;;;/h5-6,8H,2-4,7H2,1H3,(H,14,16);5-6,8H,2-4,7H2,1H3;5-6,8H,2-4,7,13H2,1H3;2-4H,8H2,1H3;1-4H2;3H,1H2;1,3H;;;1H;/q;;;;;;;2*+1;;-1/p-1
InChIKeyXLSLULDDBQZRGI-UHFFFAOYSA-M
XLogP4.95
TPSA341.46 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds15
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001476.23
LogP ≤ 54.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze dicesium;1-(4-amino-2-methylphenyl)piperidin-2-one;5-bromo-N-(2-methyl-4-nitrophenyl)pentanamide;5-bromopentanoyl chloride;ethenimine;hydride;2-methyl-4-nitroaniline;1-(2-methyl-4-nitrophenyl)piperidin-2-one;molecular hydrogen;oxido formate with MolForge

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Related Compounds

dicesium;acetonitrile;1-(4-amino-2-methylphenyl)piperidin-2-one;5-bromo-N-(2-methyl-4-nitrophenyl)pentanamide;5-bromopentanoyl chloride;hydride;methane;2-methyl-4-nitroaniline;1-(2-methyl-4-nitrophenyl)piperidin-2-one;molecular hydrogen;oxido formate
CID 161362133
1-(4-amino-2-methylphenyl)piperidin-2-one;ethane
CID 142825432
5-bromo-N-(2-bromo-5-nitrophenyl)pentanamide
CID 114014927
3-amino-N-(2-methyl-4-nitrophenyl)propanamide
CID 43424697
5-chloro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pentanamide
CID 43347098
[2-(2,4-dimethylanilino)-2-oxoethyl] 5-nitro-2-pyrrolidin-1-ylbenzoate
CID 7837413
N-(2-methyl-4-nitrophenyl)-2-(2-piperidin-1-ylanilino)acetamide
CID 24511146
N,N'-bis(2-methyl-5-nitrophenyl)nonanediamide
CID 4508002
2-chloro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide
CID 7686600
methyl 4-(2-methyl-4-nitroanilino)-4-oxobutanoate
CID 2844064
5-bromo-N-(2,4-dimethyl-5-nitrophenyl)pentanamide
CID 103601694
[2-(2-methyl-5-nitroanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727308

Frequently Asked Questions

What is the IUPAC name of dicesium;1-(4-amino-2-methylphenyl)piperidin-2-one;5-bromo-N-(2-methyl-4-nitrophenyl)pentanamide;5-bromopentanoyl chloride;ethenimine;hydride;2-methyl-4-nitroaniline;1-(2-methyl-4-nitrophenyl)piperidin-2-one;molecular hydrogen;oxido formate?
The IUPAC name of dicesium;1-(4-amino-2-methylphenyl)piperidin-2-one;5-bromo-N-(2-methyl-4-nitrophenyl)pentanamide;5-bromopentanoyl chloride;ethenimine;hydride;2-methyl-4-nitroaniline;1-(2-methyl-4-nitrophenyl)piperidin-2-one;molecular hydrogen;oxido formate (CID 158520886) is dicesium;1-(4-amino-2-methylphenyl)piperidin-2-one;5-bromo-N-(2-methyl-4-nitrophenyl)pentanamide;5-bromopentanoyl chloride;ethenimine;hydride;2-methyl-4-nitroaniline;1-(2-methyl-4-nitrophenyl)piperidin-2-one;molecular hydrogen;oxido formate.
What is the SMILES notation for dicesium;1-(4-amino-2-methylphenyl)piperidin-2-one;5-bromo-N-(2-methyl-4-nitrophenyl)pentanamide;5-bromopentanoyl chloride;ethenimine;hydride;2-methyl-4-nitroaniline;1-(2-methyl-4-nitrophenyl)piperidin-2-one;molecular hydrogen;oxido formate?
The canonical SMILES for dicesium;1-(4-amino-2-methylphenyl)piperidin-2-one;5-bromo-N-(2-methyl-4-nitrophenyl)pentanamide;5-bromopentanoyl chloride;ethenimine;hydride;2-methyl-4-nitroaniline;1-(2-methyl-4-nitrophenyl)piperidin-2-one;molecular hydrogen;oxido formate is C=C=N.Cc1cc(N)ccc1N1CCCCC1=O.Cc1cc([N+](=O)[O-])ccc1N.Cc1cc([N+](=O)[O-])ccc1N1CCCCC1=O.Cc1cc([N+](=O)[O-])ccc1NC(=O)CCCCBr.O=C(Cl)CCCCBr.O=CO[O-].[Cs+].[Cs+].[H-].[H][H].
What is the InChIKey of dicesium;1-(4-amino-2-methylphenyl)piperidin-2-one;5-bromo-N-(2-methyl-4-nitrophenyl)pentanamide;5-bromopentanoyl chloride;ethenimine;hydride;2-methyl-4-nitroaniline;1-(2-methyl-4-nitrophenyl)piperidin-2-one;molecular hydrogen;oxido formate?
The InChIKey is XLSLULDDBQZRGI-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H15BrN2O3.C12H14N2O3.C12H16N2O.C7H8N2O2.C5H8BrClO.C2H3N.CH2O3.2Cs.H2.H/c1-9-8-10(15(17)18)5-6-11(9)14-12(16)4-2-3-7-13;1-9-8-10(14(16)17)5-6-11(9)13-7-3-2-4-12(13)15;1-9-8-10(13)5-6-11(9)14-7-3-2-4-12(14)15;1-5-4-6(9(10)11)2-3-7(5)8;6-4-2-1-3-5(7)8;1-2-3;2-1-4-3;;;;/h5-6,8H,2-4,7H2,1H3,(H,14,16);5-6,8H,2-4,7H2,1H3;5-6,8H,2-4,7,13H2,1H3;2-4H,8H2,1H3;1-4H2;3H,1H2;1,3H;;;1H;/q;;;;;;;2*+1;;-1/p-1.
What are the key properties of dicesium;1-(4-amino-2-methylphenyl)piperidin-2-one;5-bromo-N-(2-methyl-4-nitrophenyl)pentanamide;5-bromopentanoyl chloride;ethenimine;hydride;2-methyl-4-nitroaniline;1-(2-methyl-4-nitrophenyl)piperidin-2-one;molecular hydrogen;oxido formate?
dicesium;1-(4-amino-2-methylphenyl)piperidin-2-one;5-bromo-N-(2-methyl-4-nitrophenyl)pentanamide;5-bromopentanoyl chloride;ethenimine;hydride;2-methyl-4-nitroaniline;1-(2-methyl-4-nitrophenyl)piperidin-2-one;molecular hydrogen;oxido formate has a molecular weight of 1476.23 g/mol, XLogP of 4.95, 15 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for dicesium;1-(4-amino-2-methylphenyl)piperidin-2-one;5-bromo-N-(2-methyl-4-nitrophenyl)pentanamide;5-bromopentanoyl chloride;ethenimine;hydride;2-methyl-4-nitroaniline;1-(2-methyl-4-nitrophenyl)piperidin-2-one;molecular hydrogen;oxido formate is sourced from PubChem (CID 158520886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).