2-(1-acetylpiperidin-4-yl)-1-[(2S)-4-[bis[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]piperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]ethanone;4-[2-[(2S)-4-[bis[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide;4-[2-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide

C153H199Cl3F12N18O16 — CID 160823515

IUPAC2-(1-acetylpiperidin-4-yl)-1-[(2S)-4-[bis[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]piperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]ethanone;4-[2-[(2S)-4-[bis[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide;4-[2-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide
SMILESCC(=O)N1CCC(CC(=O)N2CCN(C(c3ccc(Cl)cc3)c3ccccn3)C[C@@H]2C(C)(C)C)CC1.CC(=O)N1CCC(CC(=O)N2CCN(C(c3ccc(OC(F)(F)F)cc3)c3ccc(OC(F)(F)F)cc3)C[C@@H]2C(C)(C)C)CC1.CC(C)(C)[C@H]1CN(C(c2ccc(OC(F)(F)F)cc2)c2ccc(OC(F)(F)F)cc2)CCN1C(=O)CC1CCN(C(N)=O)CC1.COc1ccc(C(c2ccc(Cl)cc2)N2CCN(C(=O)CC3CCN(C(C)=O)CC3)[C@@H](C(C)(C)C)C2)cc1.COc1ccc(C(c2ccc(Cl)cc2)N2CCN(C(=O)CC3CCN(C(N)=O)CC3)[C@@H](C(C)(C)C)C2)cc1
InChIInChI=1S/C32H39F6N3O4.C31H42ClN3O3.C31H38F6N4O4.C30H41ClN4O3.C29H39ClN4O2/c1-21(42)39-15-13-22(14-16-39)19-28(43)41-18-17-40(20-27(41)30(2,3)4)29(23-5-9-25(10-6-23)44-31(33,34)35)24-7-11-26(12-8-24)45-32(36,37)38;1-22(36)33-16-14-23(15-17-33)20-29(37)35-19-18-34(21-28(35)31(2,3)4)30(24-6-10-26(32)11-7-24)25-8-12-27(38-5)13-9-25;1-29(2,3)25-19-40(16-17-41(25)26(42)18-20-12-14-39(15-13-20)28(38)43)27(21-4-8-23(9-5-21)44-30(32,33)34)22-6-10-24(11-7-22)45-31(35,36)37;1-30(2,3)26-20-34(17-18-35(26)27(36)19-21-13-15-33(16-14-21)29(32)37)28(22-5-9-24(31)10-6-22)23-7-11-25(38-4)12-8-23;1-21(35)32-15-12-22(13-16-32)19-27(36)34-18-17-33(20-26(34)29(2,3)4)28(25-7-5-6-14-31-25)23-8-10-24(30)11-9-23/h5-12,22,27,29H,13-20H2,1-4H3;6-13,23,28,30H,14-21H2,1-5H3;4-11,20,25,27H,12-19H2,1-3H3,(H2,38,43);5-12,21,26,28H,13-20H2,1-4H3,(H2,32,37);5-11,14,22,26,28H,12-13,15-20H2,1-4H3/t27-;28-,30?;25-;2*26-,28?/m11111/s1
InChIKeySFVVZLLMAFNJFL-GFRZUVALSA-N
MW2880.72 g/mol
LogP28.95
Rot. Bonds31

About 2-(1-acetylpiperidin-4-yl)-1-[(2S)-4-[bis[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]piperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]ethanone;4-[2-[(2S)-4-[bis[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide;4-[2-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide

2-(1-acetylpiperidin-4-yl)-1-[(2S)-4-[bis[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]piperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]ethanone;4-[2-[(2S)-4-[bis[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide;4-[2-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide (PubChem CID 160823515) has the molecular formula C153H199Cl3F12N18O16 and a molecular weight of 2880.72 g/mol. Its IUPAC name is 2-(1-acetylpiperidin-4-yl)-1-[(2S)-4-[bis[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]piperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]ethanone;4-[2-[(2S)-4-[bis[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide;4-[2-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name2-(1-acetylpiperidin-4-yl)-1-[(2S)-4-[bis[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]piperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]ethanone;4-[2-[(2S)-4-[bis[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide;4-[2-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide
PubChem CID160823515
Molecular FormulaC153H199Cl3F12N18O16
Molecular Weight2880.72 g/mol
Exact Mass2877.42
IUPAC Name2-(1-acetylpiperidin-4-yl)-1-[(2S)-4-[bis[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]piperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]ethanone;4-[2-[(2S)-4-[bis[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide;4-[2-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide
SMILESCC(=O)N1CCC(CC(=O)N2CCN(C(c3ccc(Cl)cc3)c3ccccn3)C[C@@H]2C(C)(C)C)CC1.CC(=O)N1CCC(CC(=O)N2CCN(C(c3ccc(OC(F)(F)F)cc3)c3ccc(OC(F)(F)F)cc3)C[C@@H]2C(C)(C)C)CC1.CC(C)(C)[C@H]1CN(C(c2ccc(OC(F)(F)F)cc2)c2ccc(OC(F)(F)F)cc2)CCN1C(=O)CC1CCN(C(N)=O)CC1.COc1ccc(C(c2ccc(Cl)cc2)N2CCN(C(=O)CC3CCN(C(C)=O)CC3)[C@@H](C(C)(C)C)C2)cc1.COc1ccc(C(c2ccc(Cl)cc2)N2CCN(C(=O)CC3CCN(C(N)=O)CC3)[C@@H](C(C)(C)C)C2)cc1
InChIInChI=1S/C32H39F6N3O4.C31H42ClN3O3.C31H38F6N4O4.C30H41ClN4O3.C29H39ClN4O2/c1-21(42)39-15-13-22(14-16-39)19-28(43)41-18-17-40(20-27(41)30(2,3)4)29(23-5-9-25(10-6-23)44-31(33,34)35)24-7-11-26(12-8-24)45-32(36,37)38;1-22(36)33-16-14-23(15-17-33)20-29(37)35-19-18-34(21-28(35)31(2,3)4)30(24-6-10-26(32)11-7-24)25-8-12-27(38-5)13-9-25;1-29(2,3)25-19-40(16-17-41(25)26(42)18-20-12-14-39(15-13-20)28(38)43)27(21-4-8-23(9-5-21)44-30(32,33)34)22-6-10-24(11-7-22)45-31(35,36)37;1-30(2,3)26-20-34(17-18-35(26)27(36)19-21-13-15-33(16-14-21)29(32)37)28(22-5-9-24(31)10-6-22)23-7-11-25(38-4)12-8-23;1-21(35)32-15-12-22(13-16-32)19-27(36)34-18-17-33(20-26(34)29(2,3)4)28(25-7-5-6-14-31-25)23-8-10-24(30)11-9-23/h5-12,22,27,29H,13-20H2,1-4H3;6-13,23,28,30H,14-21H2,1-5H3;4-11,20,25,27H,12-19H2,1-3H3,(H2,38,43);5-12,21,26,28H,13-20H2,1-4H3,(H2,32,37);5-11,14,22,26,28H,12-13,15-20H2,1-4H3/t27-;28-,30?;25-;2*26-,28?/m11111/s1
InChIKeySFVVZLLMAFNJFL-GFRZUVALSA-N
XLogP28.95
TPSA339.61 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds31
Heavy Atoms202
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002880.72
LogP ≤ 528.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Analyze 2-(1-acetylpiperidin-4-yl)-1-[(2S)-4-[bis[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]piperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]ethanone;4-[2-[(2S)-4-[bis[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide;4-[2-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-(1-acetylpiperidin-4-yl)-1-[(2S)-4-[bis(4-chlorophenyl)methyl]-2-(2-methylpropyl)piperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-4-[(5-bromo-2-pyridinyl)-(4-chlorophenyl)methyl]-2-tert-butylpiperazin-1-yl]ethanone;4-[2-[(2S)-2-tert-butyl-4-[phenyl-[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide
CID 157779330
2-(1-acetylpiperidin-4-yl)-1-[(2S)-4-[(5-bromo-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[phenyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]ethanone;4-[2-[(2S)-2-tert-butyl-4-[phenyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide;4-[2-[(2S)-4-[(4-chlorophenyl)-naphthalen-1-ylmethyl]-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide
CID 159578142
2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-thiophen-3-ylmethyl]piperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[phenyl-[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]ethanone;4-[2-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide;4-[2-[(2S)-2-tert-butyl-4-[phenyl-[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide
CID 159785806
2-(1-acetylpiperidin-4-yl)-1-[(2S)-4-[bis(4-chlorophenyl)methyl]-2-(2-methylpropyl)piperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-4-[(5-bromo-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]-2-propan-2-ylpiperazin-1-yl]ethanone;4-[2-[(2S)-2-tert-butyl-4-[phenyl-[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide
CID 160316702
2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[phenyl-[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethanone;4-[2-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide;4-[2-[(2S)-4-[(4-chlorophenyl)-pyridin-2-ylmethyl]-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide
CID 160551488
2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]ethanone;bis(2-(1-acetylpiperidin-4-yl)-1-[(2S)-4-[phenyl-[4-(trifluoromethoxy)phenyl]methyl]-2-propan-2-ylpiperazin-1-yl]ethanone);4-[2-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide
CID 161103580
2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]ethanone;bis(2-(1-acetylpiperidin-4-yl)-1-[(2S)-4-[phenyl-[4-(trifluoromethoxy)phenyl]methyl]-2-propan-2-ylpiperazin-1-yl]ethanone);4-[2-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide;4-[2-oxo-2-[(2S)-4-[phenyl-[4-(trifluoromethoxy)phenyl]methyl]-2-propan-2-ylpiperazin-1-yl]ethyl]piperidine-1-carboxamide
CID 161502338
2-(1-acetylpiperidin-4-yl)-1-[(2S)-4-[(5-bromo-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[phenyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-4-[(4-chlorophenyl)-quinolin-8-ylmethyl]-2-propan-2-ylpiperazin-1-yl]ethanone;4-[2-[(2S)-2-tert-butyl-4-[phenyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide
CID 161825652
2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-thiophen-3-ylmethyl]piperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]ethanone;4-[2-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide;4-[2-[(2S)-2-tert-butyl-4-[phenyl-[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide
CID 162062569
N-[(2R)-3-[4-[[(2S)-2-[[2-(4-chlorophenyl)-2,2-difluoroacetyl]amino]-2-cyclohexylacetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-2-[[2,2-difluoro-2-(3-methoxyphenyl)acetyl]amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-2-[[2,2-difluoro-2-(4-methylphenyl)acetyl]amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-2-[[2,2-difluoro-2-(5-methyl-3-pyridinyl)acetyl]amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-2-[[2,2-difluoro-2-(6-methyl-3-pyridinyl)acetyl]amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide
CID 167554959
CID 167653955
CID 167653955
N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-(2,5-difluorophenoxy)ethyl]piperidine-4-carboxamide
CID 137423683

Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylpiperidin-4-yl)-1-[(2S)-4-[bis[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]piperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]ethanone;4-[2-[(2S)-4-[bis[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide;4-[2-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide?
The IUPAC name of 2-(1-acetylpiperidin-4-yl)-1-[(2S)-4-[bis[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]piperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]ethanone;4-[2-[(2S)-4-[bis[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide;4-[2-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide (CID 160823515) is 2-(1-acetylpiperidin-4-yl)-1-[(2S)-4-[bis[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]piperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]ethanone;4-[2-[(2S)-4-[bis[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide;4-[2-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide.
What is the SMILES notation for 2-(1-acetylpiperidin-4-yl)-1-[(2S)-4-[bis[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]piperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]ethanone;4-[2-[(2S)-4-[bis[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide;4-[2-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide?
The canonical SMILES for 2-(1-acetylpiperidin-4-yl)-1-[(2S)-4-[bis[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]piperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]ethanone;4-[2-[(2S)-4-[bis[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide;4-[2-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide is CC(=O)N1CCC(CC(=O)N2CCN(C(c3ccc(Cl)cc3)c3ccccn3)C[C@@H]2C(C)(C)C)CC1.CC(=O)N1CCC(CC(=O)N2CCN(C(c3ccc(OC(F)(F)F)cc3)c3ccc(OC(F)(F)F)cc3)C[C@@H]2C(C)(C)C)CC1.CC(C)(C)[C@H]1CN(C(c2ccc(OC(F)(F)F)cc2)c2ccc(OC(F)(F)F)cc2)CCN1C(=O)CC1CCN(C(N)=O)CC1.COc1ccc(C(c2ccc(Cl)cc2)N2CCN(C(=O)CC3CCN(C(C)=O)CC3)[C@@H](C(C)(C)C)C2)cc1.COc1ccc(C(c2ccc(Cl)cc2)N2CCN(C(=O)CC3CCN(C(N)=O)CC3)[C@@H](C(C)(C)C)C2)cc1.
What is the InChIKey of 2-(1-acetylpiperidin-4-yl)-1-[(2S)-4-[bis[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]piperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]ethanone;4-[2-[(2S)-4-[bis[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide;4-[2-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide?
The InChIKey is SFVVZLLMAFNJFL-GFRZUVALSA-N. The full InChI is InChI=1S/C32H39F6N3O4.C31H42ClN3O3.C31H38F6N4O4.C30H41ClN4O3.C29H39ClN4O2/c1-21(42)39-15-13-22(14-16-39)19-28(43)41-18-17-40(20-27(41)30(2,3)4)29(23-5-9-25(10-6-23)44-31(33,34)35)24-7-11-26(12-8-24)45-32(36,37)38;1-22(36)33-16-14-23(15-17-33)20-29(37)35-19-18-34(21-28(35)31(2,3)4)30(24-6-10-26(32)11-7-24)25-8-12-27(38-5)13-9-25;1-29(2,3)25-19-40(16-17-41(25)26(42)18-20-12-14-39(15-13-20)28(38)43)27(21-4-8-23(9-5-21)44-30(32,33)34)22-6-10-24(11-7-22)45-31(35,36)37;1-30(2,3)26-20-34(17-18-35(26)27(36)19-21-13-15-33(16-14-21)29(32)37)28(22-5-9-24(31)10-6-22)23-7-11-25(38-4)12-8-23;1-21(35)32-15-12-22(13-16-32)19-27(36)34-18-17-33(20-26(34)29(2,3)4)28(25-7-5-6-14-31-25)23-8-10-24(30)11-9-23/h5-12,22,27,29H,13-20H2,1-4H3;6-13,23,28,30H,14-21H2,1-5H3;4-11,20,25,27H,12-19H2,1-3H3,(H2,38,43);5-12,21,26,28H,13-20H2,1-4H3,(H2,32,37);5-11,14,22,26,28H,12-13,15-20H2,1-4H3/t27-;28-,30?;25-;2*26-,28?/m11111/s1.
What are the key properties of 2-(1-acetylpiperidin-4-yl)-1-[(2S)-4-[bis[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]piperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]ethanone;4-[2-[(2S)-4-[bis[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide;4-[2-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide?
2-(1-acetylpiperidin-4-yl)-1-[(2S)-4-[bis[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]piperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]ethanone;4-[2-[(2S)-4-[bis[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide;4-[2-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide has a molecular weight of 2880.72 g/mol, XLogP of 28.95, 31 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylpiperidin-4-yl)-1-[(2S)-4-[bis[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]piperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]ethanone;4-[2-[(2S)-4-[bis[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide;4-[2-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide is sourced from PubChem (CID 160823515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).