2-[1-amino-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxyindol-3-yl]-N-methyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N-methyl-2-oxoacetamide;O-[2-nitro-4-(trifluoromethyl)phenyl]hydroxylamine

C59H64F5N11O11 — CID 158413666

IUPAC2-[1-amino-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxyindol-3-yl]-N-methyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N-methyl-2-oxoacetamide;O-[2-nitro-4-(trifluoromethyl)phenyl]hydroxylamine
SMILESCNC(=O)C(=O)c1c[nH]c2cc(OC)c(C(=O)N3C[C@H](C)N(Cc4ccc(F)cc4)C[C@H]3C)cc12.CNC(=O)C(=O)c1cn(N)c2cc(OC)c(C(=O)N3C[C@H](C)N(Cc4ccc(F)cc4)C[C@H]3C)cc12.NOc1ccc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C26H30FN5O4.C26H29FN4O4.C7H5F3N2O3/c1-15-12-31(16(2)11-30(15)13-17-5-7-18(27)8-6-17)26(35)20-9-19-21(24(33)25(34)29-3)14-32(28)22(19)10-23(20)36-4;1-15-13-31(16(2)12-30(15)14-17-5-7-18(27)8-6-17)26(34)20-9-19-21(24(32)25(33)28-3)11-29-22(19)10-23(20)35-4;8-7(9,10)4-1-2-6(15-11)5(3-4)12(13)14/h5-10,14-16H,11-13,28H2,1-4H3,(H,29,34);5-11,15-16,29H,12-14H2,1-4H3,(H,28,33);1-3H,11H2/t2*15-,16+;/m00./s1
InChIKeyGZPQTNCSZBFADT-VSPZJNGSSA-N
MW1198.22 g/mol
LogP7.01
Rot. Bonds14

About 2-[1-amino-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxyindol-3-yl]-N-methyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N-methyl-2-oxoacetamide;O-[2-nitro-4-(trifluoromethyl)phenyl]hydroxylamine

2-[1-amino-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxyindol-3-yl]-N-methyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N-methyl-2-oxoacetamide;O-[2-nitro-4-(trifluoromethyl)phenyl]hydroxylamine (PubChem CID 158413666) has the molecular formula C59H64F5N11O11 and a molecular weight of 1198.22 g/mol. Its IUPAC name is 2-[1-amino-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxyindol-3-yl]-N-methyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N-methyl-2-oxoacetamide;O-[2-nitro-4-(trifluoromethyl)phenyl]hydroxylamine.

Molecular Properties

Compound Name2-[1-amino-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxyindol-3-yl]-N-methyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N-methyl-2-oxoacetamide;O-[2-nitro-4-(trifluoromethyl)phenyl]hydroxylamine
PubChem CID158413666
Molecular FormulaC59H64F5N11O11
Molecular Weight1198.22 g/mol
Exact Mass1197.47
IUPAC Name2-[1-amino-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxyindol-3-yl]-N-methyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N-methyl-2-oxoacetamide;O-[2-nitro-4-(trifluoromethyl)phenyl]hydroxylamine
SMILESCNC(=O)C(=O)c1c[nH]c2cc(OC)c(C(=O)N3C[C@H](C)N(Cc4ccc(F)cc4)C[C@H]3C)cc12.CNC(=O)C(=O)c1cn(N)c2cc(OC)c(C(=O)N3C[C@H](C)N(Cc4ccc(F)cc4)C[C@H]3C)cc12.NOc1ccc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C26H30FN5O4.C26H29FN4O4.C7H5F3N2O3/c1-15-12-31(16(2)11-30(15)13-17-5-7-18(27)8-6-17)26(35)20-9-19-21(24(33)25(34)29-3)14-32(28)22(19)10-23(20)36-4;1-15-13-31(16(2)12-30(15)14-17-5-7-18(27)8-6-17)26(34)20-9-19-21(24(32)25(33)28-3)11-29-22(19)10-23(20)35-4;8-7(9,10)4-1-2-6(15-11)5(3-4)12(13)14/h5-10,14-16H,11-13,28H2,1-4H3,(H,29,34);5-11,15-16,29H,12-14H2,1-4H3,(H,28,33);1-3H,11H2/t2*15-,16+;/m00./s1
InChIKeyGZPQTNCSZBFADT-VSPZJNGSSA-N
XLogP7.01
TPSA283.03 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001198.22
LogP ≤ 57.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[1-amino-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxyindol-3-yl]-N-methyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N-methyl-2-oxoacetamide;O-[2-nitro-4-(trifluoromethyl)phenyl]hydroxylamine with MolForge

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Related Compounds

2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-oxoacetamide
CID 21100642
1-[1-amino-6-chloro-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]indol-3-yl]-2-(azetidin-1-yl)ethane-1,2-dione;azetidine;1-(azetidin-1-yl)-2-[6-chloro-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-3-yl]ethane-1,2-dione;(6-chloro-1H-indol-5-yl)-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]methanone
CID 162151286
2-[5-[(2S,5R)-4-benzyl-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide
CID 59989960
ethyl 3-[2-(dimethylamino)-2-oxoacetyl]-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxyindole-1-carboxylate
CID 59989962
ethyl 3-[2-(dimethylamino)-2-oxoacetyl]-5-[(2S,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxyindole-1-carboxylate
CID 58905306
ethyl 3-[2-(dimethylamino)-2-oxoacetyl]-5-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxyindole-1-carboxylate
CID 10153044
1-[1-amino-5-[(2R,5S)-4-[(3-chlorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-ethoxyindol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione;1-[5-[(2R,5S)-4-[(3-chlorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-ethoxy-1H-indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione;O-diphenylphosphorylhydroxylamine
CID 160602254
2-[6-chloro-5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-1H-indol-3-yl]-N-methyl-2-oxoacetamide
CID 142871798
1-[1-amino-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-2-methylindol-3-yl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]ethane-1,2-dione
CID 21100582
1-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-[4-nitro-3-(trifluoromethyl)phenoxy]ethanone
CID 54124378
2-[1-amino-6-chloro-5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]indol-3-yl]-N-methoxy-N-methyl-2-oxoacetamide;2-[6-chloro-5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-1H-indol-3-yl]-N-methoxy-N-methyl-2-oxoacetamide;O-diphenylphosphorylhydroxylamine;methane
CID 158490816
1-[1-amino-6-chloro-5-[(2R,5S)-2,5-dimethyl-4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione;1-[6-chloro-5-[(2R,5S)-2,5-dimethyl-4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]-1H-indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione;O-diphenylphosphorylhydroxylamine
CID 159391113

Frequently Asked Questions

What is the IUPAC name of 2-[1-amino-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxyindol-3-yl]-N-methyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N-methyl-2-oxoacetamide;O-[2-nitro-4-(trifluoromethyl)phenyl]hydroxylamine?
The IUPAC name of 2-[1-amino-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxyindol-3-yl]-N-methyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N-methyl-2-oxoacetamide;O-[2-nitro-4-(trifluoromethyl)phenyl]hydroxylamine (CID 158413666) is 2-[1-amino-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxyindol-3-yl]-N-methyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N-methyl-2-oxoacetamide;O-[2-nitro-4-(trifluoromethyl)phenyl]hydroxylamine.
What is the SMILES notation for 2-[1-amino-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxyindol-3-yl]-N-methyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N-methyl-2-oxoacetamide;O-[2-nitro-4-(trifluoromethyl)phenyl]hydroxylamine?
The canonical SMILES for 2-[1-amino-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxyindol-3-yl]-N-methyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N-methyl-2-oxoacetamide;O-[2-nitro-4-(trifluoromethyl)phenyl]hydroxylamine is CNC(=O)C(=O)c1c[nH]c2cc(OC)c(C(=O)N3C[C@H](C)N(Cc4ccc(F)cc4)C[C@H]3C)cc12.CNC(=O)C(=O)c1cn(N)c2cc(OC)c(C(=O)N3C[C@H](C)N(Cc4ccc(F)cc4)C[C@H]3C)cc12.NOc1ccc(C(F)(F)F)cc1[N+](=O)[O-].
What is the InChIKey of 2-[1-amino-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxyindol-3-yl]-N-methyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N-methyl-2-oxoacetamide;O-[2-nitro-4-(trifluoromethyl)phenyl]hydroxylamine?
The InChIKey is GZPQTNCSZBFADT-VSPZJNGSSA-N. The full InChI is InChI=1S/C26H30FN5O4.C26H29FN4O4.C7H5F3N2O3/c1-15-12-31(16(2)11-30(15)13-17-5-7-18(27)8-6-17)26(35)20-9-19-21(24(33)25(34)29-3)14-32(28)22(19)10-23(20)36-4;1-15-13-31(16(2)12-30(15)14-17-5-7-18(27)8-6-17)26(34)20-9-19-21(24(32)25(33)28-3)11-29-22(19)10-23(20)35-4;8-7(9,10)4-1-2-6(15-11)5(3-4)12(13)14/h5-10,14-16H,11-13,28H2,1-4H3,(H,29,34);5-11,15-16,29H,12-14H2,1-4H3,(H,28,33);1-3H,11H2/t2*15-,16+;/m00./s1.
What are the key properties of 2-[1-amino-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxyindol-3-yl]-N-methyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N-methyl-2-oxoacetamide;O-[2-nitro-4-(trifluoromethyl)phenyl]hydroxylamine?
2-[1-amino-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxyindol-3-yl]-N-methyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N-methyl-2-oxoacetamide;O-[2-nitro-4-(trifluoromethyl)phenyl]hydroxylamine has a molecular weight of 1198.22 g/mol, XLogP of 7.01, 14 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-amino-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxyindol-3-yl]-N-methyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N-methyl-2-oxoacetamide;O-[2-nitro-4-(trifluoromethyl)phenyl]hydroxylamine is sourced from PubChem (CID 158413666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).