N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]acetamide;[2-[[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]amino]-2-oxoethyl] acetate;[2-[[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]amino]-2-oxoethyl]-trimethylazanium;N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]-2-(tert-butylamino)acetamide;N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]-2-(dimethylamino)acetamide

C131H144N23O22+ — CID 158168584

IUPACN-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]acetamide;[2-[[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]amino]-2-oxoethyl] acetate;[2-[[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]amino]-2-oxoethyl]-trimethylazanium;N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]-2-(tert-butylamino)acetamide;N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]-2-(dimethylamino)acetamide
SMILESCC(=O)Nc1cccc2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)C[C@H]3C)c[nH]c12.CC(=O)OCC(=O)Nc1cccc2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)C[C@H]3C)c[nH]c12.C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2c(NC(=O)CN(C)C)cccc12.C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2c(NC(=O)CNC(C)(C)C)cccc12.C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2c(NC(=O)C[N+](C)(C)C)cccc12
InChIInChI=1S/C28H33N5O4.C27H31N5O4.C26H29N5O4.C26H26N4O6.C24H24N4O4/c1-18-17-32(26(36)19-9-6-5-7-10-19)13-14-33(18)27(37)25(35)21-15-29-24-20(21)11-8-12-22(24)31-23(34)16-30-28(2,3)4;1-18-16-30(26(35)19-9-6-5-7-10-19)13-14-31(18)27(36)25(34)21-15-28-24-20(21)11-8-12-22(24)29-23(33)17-32(2,3)4;1-17-15-30(25(34)18-8-5-4-6-9-18)12-13-31(17)26(35)24(33)20-14-27-23-19(20)10-7-11-21(23)28-22(32)16-29(2)3;1-16-14-29(25(34)18-7-4-3-5-8-18)11-12-30(16)26(35)24(33)20-13-27-23-19(20)9-6-10-21(23)28-22(32)15-36-17(2)31;1-15-14-27(23(31)17-7-4-3-5-8-17)11-12-28(15)24(32)22(30)19-13-25-21-18(19)9-6-10-20(21)26-16(2)29/h5-12,15,18,29-30H,13-14,16-17H2,1-4H3,(H,31,34);5-12,15,18H,13-14,16-17H2,1-4H3,(H-,28,29,33,34,36);4-11,14,17,27H,12-13,15-16H2,1-3H3,(H,28,32);3-10,13,16,27H,11-12,14-15H2,1-2H3,(H,28,32);3-10,13,15,25H,11-12,14H2,1-2H3,(H,26,29)/p+1/t2*18-;17-;16-;15-/m11111/s1
InChIKeyFXDRPKJEAPLNLQ-HSOOXVHDSA-O
MW2392.73 g/mol
LogP12.55
Rot. Bonds28

About N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]acetamide;[2-[[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]amino]-2-oxoethyl] acetate;[2-[[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]amino]-2-oxoethyl]-trimethylazanium;N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]-2-(tert-butylamino)acetamide;N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]-2-(dimethylamino)acetamide

N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]acetamide;[2-[[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]amino]-2-oxoethyl] acetate;[2-[[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]amino]-2-oxoethyl]-trimethylazanium;N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]-2-(tert-butylamino)acetamide;N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]-2-(dimethylamino)acetamide (PubChem CID 158168584) has the molecular formula C131H144N23O22+ and a molecular weight of 2392.73 g/mol. Its IUPAC name is N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]acetamide;[2-[[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]amino]-2-oxoethyl] acetate;[2-[[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]amino]-2-oxoethyl]-trimethylazanium;N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]-2-(tert-butylamino)acetamide;N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]acetamide;[2-[[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]amino]-2-oxoethyl] acetate;[2-[[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]amino]-2-oxoethyl]-trimethylazanium;N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]-2-(tert-butylamino)acetamide;N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]-2-(dimethylamino)acetamide
PubChem CID158168584
Molecular FormulaC131H144N23O22+
Molecular Weight2392.73 g/mol
Exact Mass2391.09
IUPAC NameN-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]acetamide;[2-[[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]amino]-2-oxoethyl] acetate;[2-[[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]amino]-2-oxoethyl]-trimethylazanium;N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]-2-(tert-butylamino)acetamide;N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]-2-(dimethylamino)acetamide
SMILESCC(=O)Nc1cccc2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)C[C@H]3C)c[nH]c12.CC(=O)OCC(=O)Nc1cccc2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)C[C@H]3C)c[nH]c12.C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2c(NC(=O)CN(C)C)cccc12.C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2c(NC(=O)CNC(C)(C)C)cccc12.C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2c(NC(=O)C[N+](C)(C)C)cccc12
InChIInChI=1S/C28H33N5O4.C27H31N5O4.C26H29N5O4.C26H26N4O6.C24H24N4O4/c1-18-17-32(26(36)19-9-6-5-7-10-19)13-14-33(18)27(37)25(35)21-15-29-24-20(21)11-8-12-22(24)31-23(34)16-30-28(2,3)4;1-18-16-30(26(35)19-9-6-5-7-10-19)13-14-31(18)27(36)25(34)21-15-28-24-20(21)11-8-12-22(24)29-23(33)17-32(2,3)4;1-17-15-30(25(34)18-8-5-4-6-9-18)12-13-31(17)26(35)24(33)20-14-27-23-19(20)10-7-11-21(23)28-22(32)16-29(2)3;1-16-14-29(25(34)18-7-4-3-5-8-18)11-12-30(16)26(35)24(33)20-13-27-23-19(20)9-6-10-21(23)28-22(32)15-36-17(2)31;1-15-14-27(23(31)17-7-4-3-5-8-17)11-12-28(15)24(32)22(30)19-13-25-21-18(19)9-6-10-20(21)26-16(2)29/h5-12,15,18,29-30H,13-14,16-17H2,1-4H3,(H,31,34);5-12,15,18H,13-14,16-17H2,1-4H3,(H-,28,29,33,34,36);4-11,14,17,27H,12-13,15-16H2,1-3H3,(H,28,32);3-10,13,16,27H,11-12,14-15H2,1-2H3,(H,28,32);3-10,13,15,25H,11-12,14H2,1-2H3,(H,26,29)/p+1/t2*18-;17-;16-;15-/m11111/s1
InChIKeyFXDRPKJEAPLNLQ-HSOOXVHDSA-O
XLogP12.55
TPSA554.47 Ų
H-Bond Donors11
H-Bond Acceptors24
Rotatable Bonds28
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002392.73
LogP ≤ 512.55
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]acetamide;[2-[[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]amino]-2-oxoethyl] acetate;[2-[[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]amino]-2-oxoethyl]-trimethylazanium;N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]-2-(tert-butylamino)acetamide;N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]-2-(dimethylamino)acetamide with MolForge

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Related Compounds

methyl (2S)-3-(1H-indol-3-yl)-2-[[1-[2-[1-[[4-[[3-[2-[(2S)-2-[[(1S)-1-(1H-indol-3-ylmethyl)-2-methoxy-2-oxo-ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-acetyl]indol-1-yl]methyl]phenyl]methyl]indol-3-yl]-2-oxo-acetyl]pyrrolidine-2-carbonyl]amino]propanoate
CID 129905483
methyl (2S)-3-(1H-indol-3-yl)-2-[[(2S)-1-[2-[1-[3-[3-[2-[(2S)-2-[[(1S)-1-(1H-indol-3-ylmethyl)-2-methoxy-2-oxo-ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-acetyl]indol-1-yl]propyl]indol-3-yl]-2-oxo-acetyl]pyrrolidine-2-carbonyl]amino]propanoate
CID 129905541
5-[2-[(1S)-1-[2-(3-acetylindol-1-yl)butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;2-(3-acetylindol-1-yl)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide;5-[2-[(1S)-1-[[2-[2,4-bis(trifluoromethyl)pyrrol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157268135
1-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]-3-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]urea;1-(4-isocyanophenyl)-3-[3-[2-[4-[isocyano(phenyl)methylidene]piperidin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]urea;1-[3-[2-[4-[isocyano(phenyl)methylidene]piperidin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]-3-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]urea
CID 157693286
2,2-difluoropropanoic acid;(4R)-4-(4-fluorophenyl)-8-[(2R)-4-(1H-indol-2-yl)-2-methyl-4-oxobutyl]-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-[(2R)-4-(1H-indol-2-yl)-2-methyl-4-oxobutyl]-2,8-diazaspiro[4.5]decan-1-one;(4R)-4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;tris(2,2,2-trifluoroacetic acid)
CID 158500869
bis(2,2-difluoropropanoic acid);(4R)-4-(4-fluorophenyl)-8-[(2R)-4-(1H-indol-2-yl)-2-methyl-4-oxobutyl]-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-[(2R)-4-(1H-indol-2-yl)-2-methyl-4-oxobutyl]-2,8-diazaspiro[4.5]decan-1-one;(4R)-4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;(4S)-4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;tetrakis(2,2,2-trifluoroacetic acid)
CID 159552301
(4R)-4-(4-fluorophenyl)-8-[(2R)-4-(1H-indol-2-yl)-2-methyl-4-oxobutyl]-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-[(2R)-4-(1H-indol-2-yl)-2-methyl-4-oxobutyl]-2,8-diazaspiro[4.5]decan-1-one;(4R)-4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;tetrakis(2,2,2-trifluoroacetic acid)
CID 159562075
1-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]-3-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]urea;ethyl 4-[[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-indol-7-yl]carbamoylamino]butanoate;1-(4-isocyanophenyl)-3-[3-[2-[4-[isocyano(phenyl)methylidene]piperidin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]urea;1-[3-[2-[4-[isocyano(phenyl)methylidene]piperidin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]-3-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]urea
CID 160931112
[2-[[3-[2-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-oxo-acetyl]-1H-indol-7-yl]amino]-2-oxo-ethyl] acetate
CID 68083857
methyl 3-(1H-indol-3-yl)-2-[[2-[4-[[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]propanoate;bis(2-pyridin-2-ylpyridine);ruthenium
CID 59310563
[2-[[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-1H-indol-7-yl]amino]-2-oxoethyl] acetate
CID 68186213
[2-[[3-[2-(4-benzoyl-2-methylpiperazin-1-yl)-2-oxoacetyl]-1H-indol-7-yl]amino]-2-oxoethyl] acetate
CID 77404398

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]acetamide;[2-[[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]amino]-2-oxoethyl] acetate;[2-[[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]amino]-2-oxoethyl]-trimethylazanium;N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]-2-(tert-butylamino)acetamide;N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]-2-(dimethylamino)acetamide?
The IUPAC name of N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]acetamide;[2-[[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]amino]-2-oxoethyl] acetate;[2-[[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]amino]-2-oxoethyl]-trimethylazanium;N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]-2-(tert-butylamino)acetamide;N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]-2-(dimethylamino)acetamide (CID 158168584) is N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]acetamide;[2-[[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]amino]-2-oxoethyl] acetate;[2-[[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]amino]-2-oxoethyl]-trimethylazanium;N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]-2-(tert-butylamino)acetamide;N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]-2-(dimethylamino)acetamide.
What is the SMILES notation for N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]acetamide;[2-[[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]amino]-2-oxoethyl] acetate;[2-[[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]amino]-2-oxoethyl]-trimethylazanium;N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]-2-(tert-butylamino)acetamide;N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]-2-(dimethylamino)acetamide?
The canonical SMILES for N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]acetamide;[2-[[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]amino]-2-oxoethyl] acetate;[2-[[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]amino]-2-oxoethyl]-trimethylazanium;N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]-2-(tert-butylamino)acetamide;N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]-2-(dimethylamino)acetamide is CC(=O)Nc1cccc2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)C[C@H]3C)c[nH]c12.CC(=O)OCC(=O)Nc1cccc2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)C[C@H]3C)c[nH]c12.C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2c(NC(=O)CN(C)C)cccc12.C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2c(NC(=O)CNC(C)(C)C)cccc12.C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2c(NC(=O)C[N+](C)(C)C)cccc12.
What is the InChIKey of N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]acetamide;[2-[[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]amino]-2-oxoethyl] acetate;[2-[[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]amino]-2-oxoethyl]-trimethylazanium;N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]-2-(tert-butylamino)acetamide;N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]-2-(dimethylamino)acetamide?
The InChIKey is FXDRPKJEAPLNLQ-HSOOXVHDSA-O. The full InChI is InChI=1S/C28H33N5O4.C27H31N5O4.C26H29N5O4.C26H26N4O6.C24H24N4O4/c1-18-17-32(26(36)19-9-6-5-7-10-19)13-14-33(18)27(37)25(35)21-15-29-24-20(21)11-8-12-22(24)31-23(34)16-30-28(2,3)4;1-18-16-30(26(35)19-9-6-5-7-10-19)13-14-31(18)27(36)25(34)21-15-28-24-20(21)11-8-12-22(24)29-23(33)17-32(2,3)4;1-17-15-30(25(34)18-8-5-4-6-9-18)12-13-31(17)26(35)24(33)20-14-27-23-19(20)10-7-11-21(23)28-22(32)16-29(2)3;1-16-14-29(25(34)18-7-4-3-5-8-18)11-12-30(16)26(35)24(33)20-13-27-23-19(20)9-6-10-21(23)28-22(32)15-36-17(2)31;1-15-14-27(23(31)17-7-4-3-5-8-17)11-12-28(15)24(32)22(30)19-13-25-21-18(19)9-6-10-20(21)26-16(2)29/h5-12,15,18,29-30H,13-14,16-17H2,1-4H3,(H,31,34);5-12,15,18H,13-14,16-17H2,1-4H3,(H-,28,29,33,34,36);4-11,14,17,27H,12-13,15-16H2,1-3H3,(H,28,32);3-10,13,16,27H,11-12,14-15H2,1-2H3,(H,28,32);3-10,13,15,25H,11-12,14H2,1-2H3,(H,26,29)/p+1/t2*18-;17-;16-;15-/m11111/s1.
What are the key properties of N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]acetamide;[2-[[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]amino]-2-oxoethyl] acetate;[2-[[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]amino]-2-oxoethyl]-trimethylazanium;N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]-2-(tert-butylamino)acetamide;N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]-2-(dimethylamino)acetamide?
N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]acetamide;[2-[[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]amino]-2-oxoethyl] acetate;[2-[[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]amino]-2-oxoethyl]-trimethylazanium;N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]-2-(tert-butylamino)acetamide;N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]-2-(dimethylamino)acetamide has a molecular weight of 2392.73 g/mol, XLogP of 12.55, 28 rotatable bonds, 11 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]acetamide;[2-[[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]amino]-2-oxoethyl] acetate;[2-[[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]amino]-2-oxoethyl]-trimethylazanium;N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]-2-(tert-butylamino)acetamide;N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]-2-(dimethylamino)acetamide is sourced from PubChem (CID 158168584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).