[2-[5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-1-butylindol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-3-fluorobenzamide;[2-[1-butyl-5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[2-(3-methoxy-5-methylphenyl)propan-2-yl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methoxy-2-propylphenyl)indol-1-yl]propan-1-amine

C167H196Cl2F10N20O10 — CID 158362558

IUPAC[2-[5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-1-butylindol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-3-fluorobenzamide;[2-[1-butyl-5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[2-(3-methoxy-5-methylphenyl)propan-2-yl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methoxy-2-propylphenyl)indol-1-yl]propan-1-amine
SMILESCCCCn1cc(-c2c(F)cccc2C(N)=O)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2CN)c2cc(CN3CCN(C(C)(C)c4cc(C)cc(OC)c4)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2CN)c2cc(CN3CCN(Cc4ccc5c(c4)OCCO5)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2CN)c2cc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc21.CCCc1cc(OC)ccc1-c1cn(CCCN)c2ccc(CN3CCN(Cc4ccccc4Cl)CC3)cc12
InChIInChI=1S/C36H45F3N4O2.C34H39F3N4O3.C33H41ClN4O.C33H37F3N4O3.C31H34ClFN4O/c1-6-7-12-42-24-33(31-10-9-29(20-27(31)22-40)45-36(37,38)39)32-19-26(8-11-34(32)42)23-41-13-15-43(16-14-41)35(3,4)28-17-25(2)18-30(21-28)44-5;1-2-3-10-41-23-30(28-7-6-27(19-26(28)20-38)44-34(35,36)37)29-17-24(4-8-31(29)41)21-39-11-13-40(14-12-39)22-25-5-9-32-33(18-25)43-16-15-42-32;1-3-7-26-21-28(39-2)11-12-29(26)31-24-38(15-6-14-35)33-13-10-25(20-30(31)33)22-36-16-18-37(19-17-36)23-27-8-4-5-9-32(27)34;1-2-3-10-40-21-29(27-7-6-26(17-25(27)18-37)43-33(34,35)36)28-15-23(4-8-30(28)40)19-38-11-13-39(14-12-38)20-24-5-9-31-32(16-24)42-22-41-31;1-2-3-13-37-21-26(30-24(31(34)38)8-6-10-28(30)33)25-18-22(11-12-29(25)37)19-35-14-16-36(17-15-35)20-23-7-4-5-9-27(23)32/h8-11,17-21,24H,6-7,12-16,22-23,40H2,1-5H3;4-9,17-19,23H,2-3,10-16,20-22,38H2,1H3;4-5,8-13,20-21,24H,3,6-7,14-19,22-23,35H2,1-2H3;4-9,15-17,21H,2-3,10-14,18-20,22,37H2,1H3;4-12,18,21H,2-3,13-17,19-20H2,1H3,(H2,34,38)
InChIKeyGTQLPINANXGJHC-UHFFFAOYSA-N
MW2904.42 g/mol
LogP33.81
Rot. Bonds51

About [2-[5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-1-butylindol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-3-fluorobenzamide;[2-[1-butyl-5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[2-(3-methoxy-5-methylphenyl)propan-2-yl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methoxy-2-propylphenyl)indol-1-yl]propan-1-amine

[2-[5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-1-butylindol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-3-fluorobenzamide;[2-[1-butyl-5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[2-(3-methoxy-5-methylphenyl)propan-2-yl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methoxy-2-propylphenyl)indol-1-yl]propan-1-amine (PubChem CID 158362558) has the molecular formula C167H196Cl2F10N20O10 and a molecular weight of 2904.42 g/mol. Its IUPAC name is [2-[5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-1-butylindol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-3-fluorobenzamide;[2-[1-butyl-5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[2-(3-methoxy-5-methylphenyl)propan-2-yl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methoxy-2-propylphenyl)indol-1-yl]propan-1-amine.

Molecular Properties

Compound Name[2-[5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-1-butylindol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-3-fluorobenzamide;[2-[1-butyl-5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[2-(3-methoxy-5-methylphenyl)propan-2-yl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methoxy-2-propylphenyl)indol-1-yl]propan-1-amine
PubChem CID158362558
Molecular FormulaC167H196Cl2F10N20O10
Molecular Weight2904.42 g/mol
Exact Mass2901.47
IUPAC Name[2-[5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-1-butylindol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-3-fluorobenzamide;[2-[1-butyl-5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[2-(3-methoxy-5-methylphenyl)propan-2-yl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methoxy-2-propylphenyl)indol-1-yl]propan-1-amine
SMILESCCCCn1cc(-c2c(F)cccc2C(N)=O)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2CN)c2cc(CN3CCN(C(C)(C)c4cc(C)cc(OC)c4)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2CN)c2cc(CN3CCN(Cc4ccc5c(c4)OCCO5)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2CN)c2cc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc21.CCCc1cc(OC)ccc1-c1cn(CCCN)c2ccc(CN3CCN(Cc4ccccc4Cl)CC3)cc12
InChIInChI=1S/C36H45F3N4O2.C34H39F3N4O3.C33H41ClN4O.C33H37F3N4O3.C31H34ClFN4O/c1-6-7-12-42-24-33(31-10-9-29(20-27(31)22-40)45-36(37,38)39)32-19-26(8-11-34(32)42)23-41-13-15-43(16-14-41)35(3,4)28-17-25(2)18-30(21-28)44-5;1-2-3-10-41-23-30(28-7-6-27(19-26(28)20-38)44-34(35,36)37)29-17-24(4-8-31(29)41)21-39-11-13-40(14-12-39)22-25-5-9-32-33(18-25)43-16-15-42-32;1-3-7-26-21-28(39-2)11-12-29(26)31-24-38(15-6-14-35)33-13-10-25(20-30(31)33)22-36-16-18-37(19-17-36)23-27-8-4-5-9-32(27)34;1-2-3-10-40-21-29(27-7-6-26(17-25(27)18-37)43-33(34,35)36)28-15-23(4-8-30(28)40)19-38-11-13-39(14-12-38)20-24-5-9-31-32(16-24)42-22-41-31;1-2-3-13-37-21-26(30-24(31(34)38)8-6-10-28(30)33)25-18-22(11-12-29(25)37)19-35-14-16-36(17-15-35)20-23-7-4-5-9-27(23)32/h8-11,17-21,24H,6-7,12-16,22-23,40H2,1-5H3;4-9,17-19,23H,2-3,10-16,20-22,38H2,1H3;4-5,8-13,20-21,24H,3,6-7,14-19,22-23,35H2,1-2H3;4-9,15-17,21H,2-3,10-14,18-20,22,37H2,1H3;4-12,18,21H,2-3,13-17,19-20H2,1H3,(H2,34,38)
InChIKeyGTQLPINANXGJHC-UHFFFAOYSA-N
XLogP33.81
TPSA287.29 Ų
H-Bond Donors5
H-Bond Acceptors29
Rotatable Bonds51
Heavy Atoms209
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002904.42
LogP ≤ 533.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1029

Analyze [2-[5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-1-butylindol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-3-fluorobenzamide;[2-[1-butyl-5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[2-(3-methoxy-5-methylphenyl)propan-2-yl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methoxy-2-propylphenyl)indol-1-yl]propan-1-amine with MolForge

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Related Compounds

1-[3-[1-(3-Aminopropyl)-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]ethanone;4-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]benzamide;[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanol;1-butyl-4-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(3-propylphenyl)indol-1-yl]propan-1-amine
CID 157130055
[4-[(2R)-butan-2-yl]oxy-3-methoxyphenyl]-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(4-ethyl-3-methoxyphenyl)methanone;1-[1'-[4-(3-ethylpentan-3-yl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-(2-methoxy-3-pyridinyl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
CID 157267177
1-(1-Aminocyclohexyl)-5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-phenylindol-1-yl]pentan-1-one;5-[5-[[5-[(2-methoxy-6-methylphenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[5-[[2-methyl-6-(trifluoromethoxy)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one;1-piperidin-2-yl-5-[3-[4-(trifluoromethoxy)phenyl]-5-[[5-[[2-(trifluoromethoxy)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]indol-1-yl]pentan-1-one
CID 157386399
CID 157400799
CID 157400799
heptakis(carbon dioxide);N-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-cyclopropyloxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(5-propan-2-yl-3-pyridinyl)ethyl]indole-5-carboxamide;N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(6-methoxy-3-pyridinyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
CID 158108496
2-[1-[(E)-3-[4-(1,1-difluoroethyl)phenyl]prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;ethyl 4-[2-[4-[2-amino-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-oxoethyl]piperidin-1-yl]-2-oxoethyl]benzoate;2-[1-[(E)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]acetamide
CID 158145748
1-[2-[1-(3-Aminopropyl)-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-3-fluorophenyl]ethanone;4-[2-[1-(3-aminopropyl)-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]butan-2-one;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[2-[(dimethylamino)methyl]-4-methoxyphenyl]indol-1-yl]propan-1-amine;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[2-propyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-[2-(3-methoxy-5-methylphenyl)propan-2-yl]piperazin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-[2-(3-methylphenyl)propan-2-yl]piperazin-1-yl]methyl]indol-1-yl]propan-1-amine
CID 158222180
4-[2-[1-(3-aminopropyl)-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]butan-2-one;1-[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-methoxyphenyl]-N,N-dimethylmethanamine;[2-[1-butyl-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[2-(3-methylphenyl)propan-2-yl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine
CID 158372332
1-(1-Aminocyclohexyl)-5-[5-[(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-[4-[[3-[(4-chloro-3-methylphenyl)methoxy]-4-methoxyphenyl]methyl]piperazin-2-yl]-5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-[4-[[2-(3-chlorophenyl)-3-pyridinyl]methylamino]piperidin-4-yl]-5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one
CID 158702464
5-[5-[[4-[(2-Chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[4-[(2,6-dimethylphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[4-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one;1-piperidin-2-yl-5-[3-[4-(trifluoromethoxy)phenyl]-5-[[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]indol-1-yl]pentan-1-one
CID 159015494
1-Butyl-3-(2-chloro-6-methylphenyl)-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indole;[3-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanol;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(3-chloro-2-pyridinyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 159359768
Tert-butyl 4-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-formyl-3-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;1-[(2-chlorophenyl)methyl]piperazine;[2-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-cyclohexylindol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;methane
CID 159623283

Frequently Asked Questions

What is the IUPAC name of [2-[5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-1-butylindol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-3-fluorobenzamide;[2-[1-butyl-5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[2-(3-methoxy-5-methylphenyl)propan-2-yl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methoxy-2-propylphenyl)indol-1-yl]propan-1-amine?
The IUPAC name of [2-[5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-1-butylindol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-3-fluorobenzamide;[2-[1-butyl-5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[2-(3-methoxy-5-methylphenyl)propan-2-yl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methoxy-2-propylphenyl)indol-1-yl]propan-1-amine (CID 158362558) is [2-[5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-1-butylindol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-3-fluorobenzamide;[2-[1-butyl-5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[2-(3-methoxy-5-methylphenyl)propan-2-yl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methoxy-2-propylphenyl)indol-1-yl]propan-1-amine.
What is the SMILES notation for [2-[5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-1-butylindol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-3-fluorobenzamide;[2-[1-butyl-5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[2-(3-methoxy-5-methylphenyl)propan-2-yl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methoxy-2-propylphenyl)indol-1-yl]propan-1-amine?
The canonical SMILES for [2-[5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-1-butylindol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-3-fluorobenzamide;[2-[1-butyl-5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[2-(3-methoxy-5-methylphenyl)propan-2-yl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methoxy-2-propylphenyl)indol-1-yl]propan-1-amine is CCCCn1cc(-c2c(F)cccc2C(N)=O)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2CN)c2cc(CN3CCN(C(C)(C)c4cc(C)cc(OC)c4)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2CN)c2cc(CN3CCN(Cc4ccc5c(c4)OCCO5)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2CN)c2cc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc21.CCCc1cc(OC)ccc1-c1cn(CCCN)c2ccc(CN3CCN(Cc4ccccc4Cl)CC3)cc12.
What is the InChIKey of [2-[5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-1-butylindol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-3-fluorobenzamide;[2-[1-butyl-5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[2-(3-methoxy-5-methylphenyl)propan-2-yl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methoxy-2-propylphenyl)indol-1-yl]propan-1-amine?
The InChIKey is GTQLPINANXGJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H45F3N4O2.C34H39F3N4O3.C33H41ClN4O.C33H37F3N4O3.C31H34ClFN4O/c1-6-7-12-42-24-33(31-10-9-29(20-27(31)22-40)45-36(37,38)39)32-19-26(8-11-34(32)42)23-41-13-15-43(16-14-41)35(3,4)28-17-25(2)18-30(21-28)44-5;1-2-3-10-41-23-30(28-7-6-27(19-26(28)20-38)44-34(35,36)37)29-17-24(4-8-31(29)41)21-39-11-13-40(14-12-39)22-25-5-9-32-33(18-25)43-16-15-42-32;1-3-7-26-21-28(39-2)11-12-29(26)31-24-38(15-6-14-35)33-13-10-25(20-30(31)33)22-36-16-18-37(19-17-36)23-27-8-4-5-9-32(27)34;1-2-3-10-40-21-29(27-7-6-26(17-25(27)18-37)43-33(34,35)36)28-15-23(4-8-30(28)40)19-38-11-13-39(14-12-38)20-24-5-9-31-32(16-24)42-22-41-31;1-2-3-13-37-21-26(30-24(31(34)38)8-6-10-28(30)33)25-18-22(11-12-29(25)37)19-35-14-16-36(17-15-35)20-23-7-4-5-9-27(23)32/h8-11,17-21,24H,6-7,12-16,22-23,40H2,1-5H3;4-9,17-19,23H,2-3,10-16,20-22,38H2,1H3;4-5,8-13,20-21,24H,3,6-7,14-19,22-23,35H2,1-2H3;4-9,15-17,21H,2-3,10-14,18-20,22,37H2,1H3;4-12,18,21H,2-3,13-17,19-20H2,1H3,(H2,34,38).
What are the key properties of [2-[5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-1-butylindol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-3-fluorobenzamide;[2-[1-butyl-5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[2-(3-methoxy-5-methylphenyl)propan-2-yl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methoxy-2-propylphenyl)indol-1-yl]propan-1-amine?
[2-[5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-1-butylindol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-3-fluorobenzamide;[2-[1-butyl-5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[2-(3-methoxy-5-methylphenyl)propan-2-yl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methoxy-2-propylphenyl)indol-1-yl]propan-1-amine has a molecular weight of 2904.42 g/mol, XLogP of 33.81, 51 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-1-butylindol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-3-fluorobenzamide;[2-[1-butyl-5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[2-(3-methoxy-5-methylphenyl)propan-2-yl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methoxy-2-propylphenyl)indol-1-yl]propan-1-amine is sourced from PubChem (CID 158362558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).