benzyl 2-[1-butyl-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate;tert-butyl 2-[1-butyl-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate;tert-butyl 3-[[2-(2-ethoxy-2-oxoethyl)-4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]indole-1-carboxylate;ethyl 2-[4-[[4-(4-chlorophenyl)phenyl]methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]acetate;ethyl 2-[1-(cyclohexylmethyl)-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate;ethyl 2-[1-[(4-methylphenyl)methyl]-4-(quinolin-8-ylmethyl)piperazin-2-yl]acetate;ethyl 2-[4-(4-methylphenyl)sulfonyl-1-(2-methylpropyl)piperazin-2-yl]acetate;(3-methylphenyl) 2-[1-butyl-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate

C194H263ClN18O30S6 — CID 162001544

IUPACbenzyl 2-[1-butyl-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate;tert-butyl 2-[1-butyl-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate;tert-butyl 3-[[2-(2-ethoxy-2-oxoethyl)-4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]indole-1-carboxylate;ethyl 2-[4-[[4-(4-chlorophenyl)phenyl]methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]acetate;ethyl 2-[1-(cyclohexylmethyl)-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate;ethyl 2-[1-[(4-methylphenyl)methyl]-4-(quinolin-8-ylmethyl)piperazin-2-yl]acetate;ethyl 2-[4-(4-methylphenyl)sulfonyl-1-(2-methylpropyl)piperazin-2-yl]acetate;(3-methylphenyl) 2-[1-butyl-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate
SMILESCCCCN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1CC(=O)OC(C)(C)C.CCCCN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1CC(=O)OCc1ccccc1.CCCCN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1CC(=O)Oc1cccc(C)c1.CCOC(=O)CC1CN(Cc2ccc(-c3ccc(Cl)cc3)cc2)CCN1Cc1ccc(C)cc1.CCOC(=O)CC1CN(Cc2cccc3cccnc23)CCN1Cc1ccc(C)cc1.CCOC(=O)CC1CN(S(=O)(=O)c2ccc(C)cc2)CCN1CC(C)C.CCOC(=O)CC1CN(S(=O)(=O)c2ccc(C)cc2)CCN1CC1CCCCC1.CCOC(=O)CC1CN(S(=O)(=O)c2ccc(C)cc2)CCN1Cc1cn(C(=O)OC(C)(C)C)c2ccccc12
InChIInChI=1S/C29H33ClN2O2.C29H37N3O6S.C26H31N3O2.2C24H32N2O4S.C22H34N2O4S.C21H34N2O4S.C19H30N2O4S/c1-3-34-29(33)18-28-21-31(16-17-32(28)20-24-6-4-22(2)5-7-24)19-23-8-10-25(11-9-23)26-12-14-27(30)15-13-26;1-6-37-27(33)17-23-20-31(39(35,36)24-13-11-21(2)12-14-24)16-15-30(23)18-22-19-32(28(34)38-29(3,4)5)26-10-8-7-9-25(22)26;1-3-31-25(30)16-24-19-28(14-15-29(24)17-21-11-9-20(2)10-12-21)18-23-7-4-6-22-8-5-13-27-26(22)23;1-4-5-13-25-14-15-26(31(28,29)23-11-9-19(2)10-12-23)18-21(25)17-24(27)30-22-8-6-7-20(3)16-22;1-3-4-14-25-15-16-26(31(28,29)23-12-10-20(2)11-13-23)18-22(25)17-24(27)30-19-21-8-6-5-7-9-21;1-3-28-22(25)15-20-17-24(29(26,27)21-11-9-18(2)10-12-21)14-13-23(20)16-19-7-5-4-6-8-19;1-6-7-12-22-13-14-23(16-18(22)15-20(24)27-21(3,4)5)28(25,26)19-10-8-17(2)9-11-19;1-5-25-19(22)12-17-14-21(11-10-20(17)13-15(2)3)26(23,24)18-8-6-16(4)7-9-18/h4-15,28H,3,16-21H2,1-2H3;7-14,19,23H,6,15-18,20H2,1-5H3;4-13,24H,3,14-19H2,1-2H3;6-12,16,21H,4-5,13-15,17-18H2,1-3H3;5-13,22H,3-4,14-19H2,1-2H3;9-12,19-20H,3-8,13-17H2,1-2H3;8-11,18H,6-7,12-16H2,1-5H3;6-9,15,17H,5,10-14H2,1-4H3
InChIKeyYSGYVKSRGQOVIC-UHFFFAOYSA-N
MW3555.19 g/mol
LogP30.76
Rot. Bonds60

About benzyl 2-[1-butyl-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate;tert-butyl 2-[1-butyl-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate;tert-butyl 3-[[2-(2-ethoxy-2-oxoethyl)-4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]indole-1-carboxylate;ethyl 2-[4-[[4-(4-chlorophenyl)phenyl]methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]acetate;ethyl 2-[1-(cyclohexylmethyl)-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate;ethyl 2-[1-[(4-methylphenyl)methyl]-4-(quinolin-8-ylmethyl)piperazin-2-yl]acetate;ethyl 2-[4-(4-methylphenyl)sulfonyl-1-(2-methylpropyl)piperazin-2-yl]acetate;(3-methylphenyl) 2-[1-butyl-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate

benzyl 2-[1-butyl-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate;tert-butyl 2-[1-butyl-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate;tert-butyl 3-[[2-(2-ethoxy-2-oxoethyl)-4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]indole-1-carboxylate;ethyl 2-[4-[[4-(4-chlorophenyl)phenyl]methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]acetate;ethyl 2-[1-(cyclohexylmethyl)-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate;ethyl 2-[1-[(4-methylphenyl)methyl]-4-(quinolin-8-ylmethyl)piperazin-2-yl]acetate;ethyl 2-[4-(4-methylphenyl)sulfonyl-1-(2-methylpropyl)piperazin-2-yl]acetate;(3-methylphenyl) 2-[1-butyl-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate (PubChem CID 162001544) has the molecular formula C194H263ClN18O30S6 and a molecular weight of 3555.19 g/mol. Its IUPAC name is benzyl 2-[1-butyl-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate;tert-butyl 2-[1-butyl-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate;tert-butyl 3-[[2-(2-ethoxy-2-oxoethyl)-4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]indole-1-carboxylate;ethyl 2-[4-[[4-(4-chlorophenyl)phenyl]methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]acetate;ethyl 2-[1-(cyclohexylmethyl)-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate;ethyl 2-[1-[(4-methylphenyl)methyl]-4-(quinolin-8-ylmethyl)piperazin-2-yl]acetate;ethyl 2-[4-(4-methylphenyl)sulfonyl-1-(2-methylpropyl)piperazin-2-yl]acetate;(3-methylphenyl) 2-[1-butyl-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate.

Molecular Properties

Compound Namebenzyl 2-[1-butyl-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate;tert-butyl 2-[1-butyl-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate;tert-butyl 3-[[2-(2-ethoxy-2-oxoethyl)-4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]indole-1-carboxylate;ethyl 2-[4-[[4-(4-chlorophenyl)phenyl]methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]acetate;ethyl 2-[1-(cyclohexylmethyl)-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate;ethyl 2-[1-[(4-methylphenyl)methyl]-4-(quinolin-8-ylmethyl)piperazin-2-yl]acetate;ethyl 2-[4-(4-methylphenyl)sulfonyl-1-(2-methylpropyl)piperazin-2-yl]acetate;(3-methylphenyl) 2-[1-butyl-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate
PubChem CID162001544
Molecular FormulaC194H263ClN18O30S6
Molecular Weight3555.19 g/mol
Exact Mass3551.76
IUPAC Namebenzyl 2-[1-butyl-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate;tert-butyl 2-[1-butyl-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate;tert-butyl 3-[[2-(2-ethoxy-2-oxoethyl)-4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]indole-1-carboxylate;ethyl 2-[4-[[4-(4-chlorophenyl)phenyl]methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]acetate;ethyl 2-[1-(cyclohexylmethyl)-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate;ethyl 2-[1-[(4-methylphenyl)methyl]-4-(quinolin-8-ylmethyl)piperazin-2-yl]acetate;ethyl 2-[4-(4-methylphenyl)sulfonyl-1-(2-methylpropyl)piperazin-2-yl]acetate;(3-methylphenyl) 2-[1-butyl-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate
SMILESCCCCN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1CC(=O)OC(C)(C)C.CCCCN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1CC(=O)OCc1ccccc1.CCCCN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1CC(=O)Oc1cccc(C)c1.CCOC(=O)CC1CN(Cc2ccc(-c3ccc(Cl)cc3)cc2)CCN1Cc1ccc(C)cc1.CCOC(=O)CC1CN(Cc2cccc3cccnc23)CCN1Cc1ccc(C)cc1.CCOC(=O)CC1CN(S(=O)(=O)c2ccc(C)cc2)CCN1CC(C)C.CCOC(=O)CC1CN(S(=O)(=O)c2ccc(C)cc2)CCN1CC1CCCCC1.CCOC(=O)CC1CN(S(=O)(=O)c2ccc(C)cc2)CCN1Cc1cn(C(=O)OC(C)(C)C)c2ccccc12
InChIInChI=1S/C29H33ClN2O2.C29H37N3O6S.C26H31N3O2.2C24H32N2O4S.C22H34N2O4S.C21H34N2O4S.C19H30N2O4S/c1-3-34-29(33)18-28-21-31(16-17-32(28)20-24-6-4-22(2)5-7-24)19-23-8-10-25(11-9-23)26-12-14-27(30)15-13-26;1-6-37-27(33)17-23-20-31(39(35,36)24-13-11-21(2)12-14-24)16-15-30(23)18-22-19-32(28(34)38-29(3,4)5)26-10-8-7-9-25(22)26;1-3-31-25(30)16-24-19-28(14-15-29(24)17-21-11-9-20(2)10-12-21)18-23-7-4-6-22-8-5-13-27-26(22)23;1-4-5-13-25-14-15-26(31(28,29)23-11-9-19(2)10-12-23)18-21(25)17-24(27)30-22-8-6-7-20(3)16-22;1-3-4-14-25-15-16-26(31(28,29)23-12-10-20(2)11-13-23)18-22(25)17-24(27)30-19-21-8-6-5-7-9-21;1-3-28-22(25)15-20-17-24(29(26,27)21-11-9-18(2)10-12-21)14-13-23(20)16-19-7-5-4-6-8-19;1-6-7-12-22-13-14-23(16-18(22)15-20(24)27-21(3,4)5)28(25,26)19-10-8-17(2)9-11-19;1-5-25-19(22)12-17-14-21(11-10-20(17)13-15(2)3)26(23,24)18-8-6-16(4)7-9-18/h4-15,28H,3,16-21H2,1-2H3;7-14,19,23H,6,15-18,20H2,1-5H3;4-13,24H,3,14-19H2,1-2H3;6-12,16,21H,4-5,13-15,17-18H2,1-3H3;5-13,22H,3-4,14-19H2,1-2H3;9-12,19-20H,3-8,13-17H2,1-2H3;8-11,18H,6-7,12-16H2,1-5H3;6-9,15,17H,5,10-14H2,1-4H3
InChIKeyYSGYVKSRGQOVIC-UHFFFAOYSA-N
XLogP30.76
TPSA511.20 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds60
Heavy Atoms249
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003555.19
LogP ≤ 530.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze benzyl 2-[1-butyl-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate;tert-butyl 2-[1-butyl-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate;tert-butyl 3-[[2-(2-ethoxy-2-oxoethyl)-4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]indole-1-carboxylate;ethyl 2-[4-[[4-(4-chlorophenyl)phenyl]methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]acetate;ethyl 2-[1-(cyclohexylmethyl)-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate;ethyl 2-[1-[(4-methylphenyl)methyl]-4-(quinolin-8-ylmethyl)piperazin-2-yl]acetate;ethyl 2-[4-(4-methylphenyl)sulfonyl-1-(2-methylpropyl)piperazin-2-yl]acetate;(3-methylphenyl) 2-[1-butyl-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate with MolForge

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Related Compounds

benzyl 2-[4-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]piperazin-1-yl]acetate
CID 175364963
ethyl 2-[4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetate
CID 158088192
benzyl 4-[[(1R,3S)-3-[[4-[1-(benzenesulfonyl)indol-3-yl]-5-chloropyrimidin-2-yl]amino]cyclohexyl]methyl]piperazine-1-carboxylate
CID 129279085
ethyl 2-[(2S,4R)-1-naphthalen-2-ylsulfonyl-4-phenylmethoxypyrrolidin-2-yl]acetate
CID 56994672
benzyl 3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanoate
CID 166448326
tert-butyl 3-[(3R,4S)-1-benzyl-4-ethoxycarbonylpyrrolidin-3-yl]indole-1-carboxylate
CID 131726063
6-chloro-3-[2-[[3-[(4-chlorophenyl)methyl]-4-ethylpiperazin-1-yl]methyl]-4-phenyl-1H-imidazol-5-yl]-1-(4-methylphenyl)sulfonylindole
CID 66987597
benzenesulfonyl chloride;1-(benzenesulfonyl)-3-(cyclopentylmethyl)pyrrolo[3,2-b]pyridine;tert-butyl 2-(1H-pyrrolo[3,2-b]pyridin-3-ylmethyl)pyrrolidine-1-carboxylate
CID 158193543
tert-butyl N-[1-[(2S)-4-[[4-(4-chlorophenyl)phenyl]methyl]-1-[[5-(cyclohexylmethoxy)-2-pyridinyl]sulfonyl]piperazine-2-carbonyl]piperidin-4-yl]carbamate
CID 138665013
tert-butyl 3-[2-(1-benzyltriazol-4-yl)-1-(4-methylphenyl)sulfonylethyl]indole-1-carboxylate
CID 101490574
8-[[4-(2-chloro-5-methylsulfonylphenyl)sulfonylpiperazin-1-yl]methyl]quinoline
CID 55598876
tert-butyl 4-benzyl-2-[(2-methylpropan-2-yl)oxymethyl]piperazine-1-carboxylate;ethane
CID 142251604

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[1-butyl-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate;tert-butyl 2-[1-butyl-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate;tert-butyl 3-[[2-(2-ethoxy-2-oxoethyl)-4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]indole-1-carboxylate;ethyl 2-[4-[[4-(4-chlorophenyl)phenyl]methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]acetate;ethyl 2-[1-(cyclohexylmethyl)-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate;ethyl 2-[1-[(4-methylphenyl)methyl]-4-(quinolin-8-ylmethyl)piperazin-2-yl]acetate;ethyl 2-[4-(4-methylphenyl)sulfonyl-1-(2-methylpropyl)piperazin-2-yl]acetate;(3-methylphenyl) 2-[1-butyl-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate?
The IUPAC name of benzyl 2-[1-butyl-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate;tert-butyl 2-[1-butyl-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate;tert-butyl 3-[[2-(2-ethoxy-2-oxoethyl)-4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]indole-1-carboxylate;ethyl 2-[4-[[4-(4-chlorophenyl)phenyl]methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]acetate;ethyl 2-[1-(cyclohexylmethyl)-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate;ethyl 2-[1-[(4-methylphenyl)methyl]-4-(quinolin-8-ylmethyl)piperazin-2-yl]acetate;ethyl 2-[4-(4-methylphenyl)sulfonyl-1-(2-methylpropyl)piperazin-2-yl]acetate;(3-methylphenyl) 2-[1-butyl-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate (CID 162001544) is benzyl 2-[1-butyl-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate;tert-butyl 2-[1-butyl-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate;tert-butyl 3-[[2-(2-ethoxy-2-oxoethyl)-4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]indole-1-carboxylate;ethyl 2-[4-[[4-(4-chlorophenyl)phenyl]methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]acetate;ethyl 2-[1-(cyclohexylmethyl)-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate;ethyl 2-[1-[(4-methylphenyl)methyl]-4-(quinolin-8-ylmethyl)piperazin-2-yl]acetate;ethyl 2-[4-(4-methylphenyl)sulfonyl-1-(2-methylpropyl)piperazin-2-yl]acetate;(3-methylphenyl) 2-[1-butyl-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate.
What is the SMILES notation for benzyl 2-[1-butyl-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate;tert-butyl 2-[1-butyl-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate;tert-butyl 3-[[2-(2-ethoxy-2-oxoethyl)-4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]indole-1-carboxylate;ethyl 2-[4-[[4-(4-chlorophenyl)phenyl]methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]acetate;ethyl 2-[1-(cyclohexylmethyl)-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate;ethyl 2-[1-[(4-methylphenyl)methyl]-4-(quinolin-8-ylmethyl)piperazin-2-yl]acetate;ethyl 2-[4-(4-methylphenyl)sulfonyl-1-(2-methylpropyl)piperazin-2-yl]acetate;(3-methylphenyl) 2-[1-butyl-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate?
The canonical SMILES for benzyl 2-[1-butyl-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate;tert-butyl 2-[1-butyl-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate;tert-butyl 3-[[2-(2-ethoxy-2-oxoethyl)-4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]indole-1-carboxylate;ethyl 2-[4-[[4-(4-chlorophenyl)phenyl]methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]acetate;ethyl 2-[1-(cyclohexylmethyl)-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate;ethyl 2-[1-[(4-methylphenyl)methyl]-4-(quinolin-8-ylmethyl)piperazin-2-yl]acetate;ethyl 2-[4-(4-methylphenyl)sulfonyl-1-(2-methylpropyl)piperazin-2-yl]acetate;(3-methylphenyl) 2-[1-butyl-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate is CCCCN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1CC(=O)OC(C)(C)C.CCCCN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1CC(=O)OCc1ccccc1.CCCCN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1CC(=O)Oc1cccc(C)c1.CCOC(=O)CC1CN(Cc2ccc(-c3ccc(Cl)cc3)cc2)CCN1Cc1ccc(C)cc1.CCOC(=O)CC1CN(Cc2cccc3cccnc23)CCN1Cc1ccc(C)cc1.CCOC(=O)CC1CN(S(=O)(=O)c2ccc(C)cc2)CCN1CC(C)C.CCOC(=O)CC1CN(S(=O)(=O)c2ccc(C)cc2)CCN1CC1CCCCC1.CCOC(=O)CC1CN(S(=O)(=O)c2ccc(C)cc2)CCN1Cc1cn(C(=O)OC(C)(C)C)c2ccccc12.
What is the InChIKey of benzyl 2-[1-butyl-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate;tert-butyl 2-[1-butyl-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate;tert-butyl 3-[[2-(2-ethoxy-2-oxoethyl)-4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]indole-1-carboxylate;ethyl 2-[4-[[4-(4-chlorophenyl)phenyl]methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]acetate;ethyl 2-[1-(cyclohexylmethyl)-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate;ethyl 2-[1-[(4-methylphenyl)methyl]-4-(quinolin-8-ylmethyl)piperazin-2-yl]acetate;ethyl 2-[4-(4-methylphenyl)sulfonyl-1-(2-methylpropyl)piperazin-2-yl]acetate;(3-methylphenyl) 2-[1-butyl-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate?
The InChIKey is YSGYVKSRGQOVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33ClN2O2.C29H37N3O6S.C26H31N3O2.2C24H32N2O4S.C22H34N2O4S.C21H34N2O4S.C19H30N2O4S/c1-3-34-29(33)18-28-21-31(16-17-32(28)20-24-6-4-22(2)5-7-24)19-23-8-10-25(11-9-23)26-12-14-27(30)15-13-26;1-6-37-27(33)17-23-20-31(39(35,36)24-13-11-21(2)12-14-24)16-15-30(23)18-22-19-32(28(34)38-29(3,4)5)26-10-8-7-9-25(22)26;1-3-31-25(30)16-24-19-28(14-15-29(24)17-21-11-9-20(2)10-12-21)18-23-7-4-6-22-8-5-13-27-26(22)23;1-4-5-13-25-14-15-26(31(28,29)23-11-9-19(2)10-12-23)18-21(25)17-24(27)30-22-8-6-7-20(3)16-22;1-3-4-14-25-15-16-26(31(28,29)23-12-10-20(2)11-13-23)18-22(25)17-24(27)30-19-21-8-6-5-7-9-21;1-3-28-22(25)15-20-17-24(29(26,27)21-11-9-18(2)10-12-21)14-13-23(20)16-19-7-5-4-6-8-19;1-6-7-12-22-13-14-23(16-18(22)15-20(24)27-21(3,4)5)28(25,26)19-10-8-17(2)9-11-19;1-5-25-19(22)12-17-14-21(11-10-20(17)13-15(2)3)26(23,24)18-8-6-16(4)7-9-18/h4-15,28H,3,16-21H2,1-2H3;7-14,19,23H,6,15-18,20H2,1-5H3;4-13,24H,3,14-19H2,1-2H3;6-12,16,21H,4-5,13-15,17-18H2,1-3H3;5-13,22H,3-4,14-19H2,1-2H3;9-12,19-20H,3-8,13-17H2,1-2H3;8-11,18H,6-7,12-16H2,1-5H3;6-9,15,17H,5,10-14H2,1-4H3.
What are the key properties of benzyl 2-[1-butyl-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate;tert-butyl 2-[1-butyl-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate;tert-butyl 3-[[2-(2-ethoxy-2-oxoethyl)-4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]indole-1-carboxylate;ethyl 2-[4-[[4-(4-chlorophenyl)phenyl]methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]acetate;ethyl 2-[1-(cyclohexylmethyl)-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate;ethyl 2-[1-[(4-methylphenyl)methyl]-4-(quinolin-8-ylmethyl)piperazin-2-yl]acetate;ethyl 2-[4-(4-methylphenyl)sulfonyl-1-(2-methylpropyl)piperazin-2-yl]acetate;(3-methylphenyl) 2-[1-butyl-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate?
benzyl 2-[1-butyl-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate;tert-butyl 2-[1-butyl-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate;tert-butyl 3-[[2-(2-ethoxy-2-oxoethyl)-4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]indole-1-carboxylate;ethyl 2-[4-[[4-(4-chlorophenyl)phenyl]methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]acetate;ethyl 2-[1-(cyclohexylmethyl)-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate;ethyl 2-[1-[(4-methylphenyl)methyl]-4-(quinolin-8-ylmethyl)piperazin-2-yl]acetate;ethyl 2-[4-(4-methylphenyl)sulfonyl-1-(2-methylpropyl)piperazin-2-yl]acetate;(3-methylphenyl) 2-[1-butyl-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate has a molecular weight of 3555.19 g/mol, XLogP of 30.76, 60 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[1-butyl-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate;tert-butyl 2-[1-butyl-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate;tert-butyl 3-[[2-(2-ethoxy-2-oxoethyl)-4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]indole-1-carboxylate;ethyl 2-[4-[[4-(4-chlorophenyl)phenyl]methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]acetate;ethyl 2-[1-(cyclohexylmethyl)-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate;ethyl 2-[1-[(4-methylphenyl)methyl]-4-(quinolin-8-ylmethyl)piperazin-2-yl]acetate;ethyl 2-[4-(4-methylphenyl)sulfonyl-1-(2-methylpropyl)piperazin-2-yl]acetate;(3-methylphenyl) 2-[1-butyl-4-(4-methylphenyl)sulfonylpiperazin-2-yl]acetate is sourced from PubChem (CID 162001544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).