[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl 4-cyclohexylpiperazine-1-carboxylate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-[3-(dimethylamino)propyl]-N-methylcarbamate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-(3-imidazol-1-ylpropyl)carbamate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-methyl-N-(1-methylpiperidin-4-yl)carbamate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl 4-piperidin-1-ylpiperidine-1-carboxylate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-(3-pyrrolidin-1-ylpropyl)carbamate

C166H219Cl6N19O24S6 — CID 157081095

IUPAC[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl 4-cyclohexylpiperazine-1-carboxylate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-[3-(dimethylamino)propyl]-N-methylcarbamate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-(3-imidazol-1-ylpropyl)carbamate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-methyl-N-(1-methylpiperidin-4-yl)carbamate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl 4-piperidin-1-ylpiperidine-1-carboxylate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-(3-pyrrolidin-1-ylpropyl)carbamate
SMILESCN(C)CCCN(C)C(=O)OC[C@H]1CCC[C@@H](Cc2ccccc2)N1S(=O)(=O)c1ccc(Cl)cc1.CN1CCC(N(C)C(=O)OC[C@H]2CCC[C@@H](Cc3ccccc3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1.O=C(NCCCN1CCCC1)OC[C@H]1CCC[C@@H](Cc2ccccc2)N1S(=O)(=O)c1ccc(Cl)cc1.O=C(NCCCn1ccnc1)OC[C@H]1CCC[C@@H](Cc2ccccc2)N1S(=O)(=O)c1ccc(Cl)cc1.O=C(OC[C@H]1CCC[C@@H](Cc2ccccc2)N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(N2CCCCC2)CC1.O=C(OC[C@H]1CCC[C@@H](Cc2ccccc2)N1S(=O)(=O)c1ccc(Cl)cc1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/2C30H40ClN3O4S.2C27H36ClN3O4S.C26H31ClN4O4S.C26H36ClN3O4S/c31-25-12-14-29(15-13-25)39(36,37)34-27(22-24-8-3-1-4-9-24)10-7-11-28(34)23-38-30(35)33-20-16-26(17-21-33)32-18-5-2-6-19-32;31-25-14-16-29(17-15-25)39(36,37)34-27(22-24-8-3-1-4-9-24)12-7-13-28(34)23-38-30(35)33-20-18-32(19-21-33)26-10-5-2-6-11-26;1-29-17-15-23(16-18-29)30(2)27(32)35-20-25-10-6-9-24(19-21-7-4-3-5-8-21)31(25)36(33,34)26-13-11-22(28)12-14-26;28-23-12-14-26(15-13-23)36(33,34)31-24(20-22-8-2-1-3-9-22)10-6-11-25(31)21-35-27(32)29-16-7-19-30-17-4-5-18-30;27-22-10-12-25(13-11-22)36(33,34)31-23(18-21-6-2-1-3-7-21)8-4-9-24(31)19-35-26(32)29-14-5-16-30-17-15-28-20-30;1-28(2)17-8-18-29(3)26(31)34-20-24-12-7-11-23(19-21-9-5-4-6-10-21)30(24)35(32,33)25-15-13-22(27)14-16-25/h1,3-4,8-9,12-15,26-28H,2,5-7,10-11,16-23H2;1,3-4,8-9,14-17,26-28H,2,5-7,10-13,18-23H2;3-5,7-8,11-14,23-25H,6,9-10,15-20H2,1-2H3;1-3,8-9,12-15,24-25H,4-7,10-11,16-21H2,(H,29,32);1-3,6-7,10-13,15,17,20,23-24H,4-5,8-9,14,16,18-19H2,(H,29,32);4-6,9-10,13-16,23-24H,7-8,11-12,17-20H2,1-3H3/t2*27-,28+;2*24-,25+;2*23-,24+/m000000/s1
InChIKeyADNZALHRFCUYNT-UUJFUCDJSA-N
MW3269.81 g/mol
LogP29.55
Rot. Bonds51

About [(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl 4-cyclohexylpiperazine-1-carboxylate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-[3-(dimethylamino)propyl]-N-methylcarbamate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-(3-imidazol-1-ylpropyl)carbamate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-methyl-N-(1-methylpiperidin-4-yl)carbamate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl 4-piperidin-1-ylpiperidine-1-carboxylate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-(3-pyrrolidin-1-ylpropyl)carbamate

[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl 4-cyclohexylpiperazine-1-carboxylate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-[3-(dimethylamino)propyl]-N-methylcarbamate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-(3-imidazol-1-ylpropyl)carbamate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-methyl-N-(1-methylpiperidin-4-yl)carbamate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl 4-piperidin-1-ylpiperidine-1-carboxylate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-(3-pyrrolidin-1-ylpropyl)carbamate (PubChem CID 157081095) has the molecular formula C166H219Cl6N19O24S6 and a molecular weight of 3269.81 g/mol. Its IUPAC name is [(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl 4-cyclohexylpiperazine-1-carboxylate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-[3-(dimethylamino)propyl]-N-methylcarbamate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-(3-imidazol-1-ylpropyl)carbamate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-methyl-N-(1-methylpiperidin-4-yl)carbamate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl 4-piperidin-1-ylpiperidine-1-carboxylate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-(3-pyrrolidin-1-ylpropyl)carbamate.

Molecular Properties

Compound Name[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl 4-cyclohexylpiperazine-1-carboxylate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-[3-(dimethylamino)propyl]-N-methylcarbamate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-(3-imidazol-1-ylpropyl)carbamate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-methyl-N-(1-methylpiperidin-4-yl)carbamate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl 4-piperidin-1-ylpiperidine-1-carboxylate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-(3-pyrrolidin-1-ylpropyl)carbamate
PubChem CID157081095
Molecular FormulaC166H219Cl6N19O24S6
Molecular Weight3269.81 g/mol
Exact Mass3264.30
IUPAC Name[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl 4-cyclohexylpiperazine-1-carboxylate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-[3-(dimethylamino)propyl]-N-methylcarbamate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-(3-imidazol-1-ylpropyl)carbamate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-methyl-N-(1-methylpiperidin-4-yl)carbamate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl 4-piperidin-1-ylpiperidine-1-carboxylate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-(3-pyrrolidin-1-ylpropyl)carbamate
SMILESCN(C)CCCN(C)C(=O)OC[C@H]1CCC[C@@H](Cc2ccccc2)N1S(=O)(=O)c1ccc(Cl)cc1.CN1CCC(N(C)C(=O)OC[C@H]2CCC[C@@H](Cc3ccccc3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1.O=C(NCCCN1CCCC1)OC[C@H]1CCC[C@@H](Cc2ccccc2)N1S(=O)(=O)c1ccc(Cl)cc1.O=C(NCCCn1ccnc1)OC[C@H]1CCC[C@@H](Cc2ccccc2)N1S(=O)(=O)c1ccc(Cl)cc1.O=C(OC[C@H]1CCC[C@@H](Cc2ccccc2)N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(N2CCCCC2)CC1.O=C(OC[C@H]1CCC[C@@H](Cc2ccccc2)N1S(=O)(=O)c1ccc(Cl)cc1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/2C30H40ClN3O4S.2C27H36ClN3O4S.C26H31ClN4O4S.C26H36ClN3O4S/c31-25-12-14-29(15-13-25)39(36,37)34-27(22-24-8-3-1-4-9-24)10-7-11-28(34)23-38-30(35)33-20-16-26(17-21-33)32-18-5-2-6-19-32;31-25-14-16-29(17-15-25)39(36,37)34-27(22-24-8-3-1-4-9-24)12-7-13-28(34)23-38-30(35)33-20-18-32(19-21-33)26-10-5-2-6-11-26;1-29-17-15-23(16-18-29)30(2)27(32)35-20-25-10-6-9-24(19-21-7-4-3-5-8-21)31(25)36(33,34)26-13-11-22(28)12-14-26;28-23-12-14-26(15-13-23)36(33,34)31-24(20-22-8-2-1-3-9-22)10-6-11-25(31)21-35-27(32)29-16-7-19-30-17-4-5-18-30;27-22-10-12-25(13-11-22)36(33,34)31-23(18-21-6-2-1-3-7-21)8-4-9-24(31)19-35-26(32)29-14-5-16-30-17-15-28-20-30;1-28(2)17-8-18-29(3)26(31)34-20-24-12-7-11-23(19-21-9-5-4-6-10-21)30(24)35(32,33)25-15-13-22(27)14-16-25/h1,3-4,8-9,12-15,26-28H,2,5-7,10-11,16-23H2;1,3-4,8-9,14-17,26-28H,2,5-7,10-13,18-23H2;3-5,7-8,11-14,23-25H,6,9-10,15-20H2,1-2H3;1-3,8-9,12-15,24-25H,4-7,10-11,16-21H2,(H,29,32);1-3,6-7,10-13,15,17,20,23-24H,4-5,8-9,14,16,18-19H2,(H,29,32);4-6,9-10,13-16,23-24H,7-8,11-12,17-20H2,1-3H3/t2*27-,28+;2*24-,25+;2*23-,24+/m000000/s1
InChIKeyADNZALHRFCUYNT-UUJFUCDJSA-N
XLogP29.55
TPSA453.12 Ų
H-Bond Donors2
H-Bond Acceptors31
Rotatable Bonds51
Heavy Atoms221
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003269.81
LogP ≤ 529.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

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

Analyze [(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl 4-cyclohexylpiperazine-1-carboxylate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-[3-(dimethylamino)propyl]-N-methylcarbamate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-(3-imidazol-1-ylpropyl)carbamate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-methyl-N-(1-methylpiperidin-4-yl)carbamate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl 4-piperidin-1-ylpiperidine-1-carboxylate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-(3-pyrrolidin-1-ylpropyl)carbamate with MolForge

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Related Compounds

[(2R,5S)-5-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl 4-cyclohexylpiperazine-1-carboxylate;[(2R,5S)-5-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl (2R)-4-(cyclopropylmethyl)-2-methylpiperazine-1-carboxylate;[(2R,5S)-5-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl 4-piperidin-1-ylpiperidine-1-carboxylate;[(2R,6S)-1-(4-chlorophenyl)sulfonyl-6-(2-phenylethyl)piperidin-2-yl]methyl N-(3-imidazol-1-ylpropyl)carbamate;[(2R,6S)-1-(4-chlorophenyl)sulfonyl-6-(2-phenylethyl)piperidin-2-yl]methyl 4-piperidin-1-ylpiperidine-1-carboxylate
CID 160807322
[(2R,6S)-1-(4-chlorophenyl)sulfonyl-6-phenylpiperidin-2-yl]methyl N-(3-imidazol-1-ylpropyl)carbamate
CID 10196123
[(2S,6R)-1-(4-chlorophenyl)sulfonyl-6-(methoxymethyl)piperidin-2-yl]methyl N-(3-pyrrolidin-1-ylpropyl)carbamate
CID 58850150
[(2R,6S)-1-(4-chlorophenyl)sulfonyl-6-cyclohexylpiperidin-2-yl]methyl N-methyl-N-(1-methylpiperidin-4-yl)carbamate
CID 10128622
[(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-methylpiperidin-2-yl]methyl 3-(azepan-1-yl)pyrrolidine-1-carboxylate
CID 58850114
[(2S,6R)-1-(4-chlorophenyl)sulfonyl-6-(2,5-difluorophenyl)piperidin-2-yl]methyl 4-cyclohexylpiperazine-1-carboxylate
CID 58850166
[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]methyl N-(3-pyrrolidin-1-ylpropyl)carbamate
CID 10163543
[(2R,6S)-1-(4-chlorophenyl)sulfonyl-6-phenylpiperidin-2-yl]methyl (2R)-4-cyclohexyl-2-methylpiperazine-1-carboxylate
CID 58850231
[(2R)-1-(4-chlorophenyl)sulfonyl-5-methyl-5-phenylpyrrolidin-2-yl]methyl 4-piperidin-1-ylpiperidine-1-carboxylate
CID 163912900
[(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-methylpiperidin-2-yl]methyl 4-(piperidin-1-ylamino)piperidine-1-carboxylate
CID 163768021
[(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-methylpiperidin-2-yl]methyl 4-pyridin-2-ylpiperazine-1-carboxylate
CID 10152239
[(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-methylpiperidin-2-yl]methyl 4-[2-cyclohexa-1,5-dien-1-ylethyl(methyl)amino]piperidine-1-carboxylate
CID 143020527

Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl 4-cyclohexylpiperazine-1-carboxylate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-[3-(dimethylamino)propyl]-N-methylcarbamate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-(3-imidazol-1-ylpropyl)carbamate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-methyl-N-(1-methylpiperidin-4-yl)carbamate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl 4-piperidin-1-ylpiperidine-1-carboxylate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-(3-pyrrolidin-1-ylpropyl)carbamate?
The IUPAC name of [(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl 4-cyclohexylpiperazine-1-carboxylate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-[3-(dimethylamino)propyl]-N-methylcarbamate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-(3-imidazol-1-ylpropyl)carbamate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-methyl-N-(1-methylpiperidin-4-yl)carbamate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl 4-piperidin-1-ylpiperidine-1-carboxylate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-(3-pyrrolidin-1-ylpropyl)carbamate (CID 157081095) is [(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl 4-cyclohexylpiperazine-1-carboxylate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-[3-(dimethylamino)propyl]-N-methylcarbamate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-(3-imidazol-1-ylpropyl)carbamate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-methyl-N-(1-methylpiperidin-4-yl)carbamate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl 4-piperidin-1-ylpiperidine-1-carboxylate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-(3-pyrrolidin-1-ylpropyl)carbamate.
What is the SMILES notation for [(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl 4-cyclohexylpiperazine-1-carboxylate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-[3-(dimethylamino)propyl]-N-methylcarbamate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-(3-imidazol-1-ylpropyl)carbamate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-methyl-N-(1-methylpiperidin-4-yl)carbamate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl 4-piperidin-1-ylpiperidine-1-carboxylate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-(3-pyrrolidin-1-ylpropyl)carbamate?
The canonical SMILES for [(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl 4-cyclohexylpiperazine-1-carboxylate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-[3-(dimethylamino)propyl]-N-methylcarbamate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-(3-imidazol-1-ylpropyl)carbamate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-methyl-N-(1-methylpiperidin-4-yl)carbamate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl 4-piperidin-1-ylpiperidine-1-carboxylate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-(3-pyrrolidin-1-ylpropyl)carbamate is CN(C)CCCN(C)C(=O)OC[C@H]1CCC[C@@H](Cc2ccccc2)N1S(=O)(=O)c1ccc(Cl)cc1.CN1CCC(N(C)C(=O)OC[C@H]2CCC[C@@H](Cc3ccccc3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1.O=C(NCCCN1CCCC1)OC[C@H]1CCC[C@@H](Cc2ccccc2)N1S(=O)(=O)c1ccc(Cl)cc1.O=C(NCCCn1ccnc1)OC[C@H]1CCC[C@@H](Cc2ccccc2)N1S(=O)(=O)c1ccc(Cl)cc1.O=C(OC[C@H]1CCC[C@@H](Cc2ccccc2)N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(N2CCCCC2)CC1.O=C(OC[C@H]1CCC[C@@H](Cc2ccccc2)N1S(=O)(=O)c1ccc(Cl)cc1)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of [(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl 4-cyclohexylpiperazine-1-carboxylate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-[3-(dimethylamino)propyl]-N-methylcarbamate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-(3-imidazol-1-ylpropyl)carbamate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-methyl-N-(1-methylpiperidin-4-yl)carbamate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl 4-piperidin-1-ylpiperidine-1-carboxylate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-(3-pyrrolidin-1-ylpropyl)carbamate?
The InChIKey is ADNZALHRFCUYNT-UUJFUCDJSA-N. The full InChI is InChI=1S/2C30H40ClN3O4S.2C27H36ClN3O4S.C26H31ClN4O4S.C26H36ClN3O4S/c31-25-12-14-29(15-13-25)39(36,37)34-27(22-24-8-3-1-4-9-24)10-7-11-28(34)23-38-30(35)33-20-16-26(17-21-33)32-18-5-2-6-19-32;31-25-14-16-29(17-15-25)39(36,37)34-27(22-24-8-3-1-4-9-24)12-7-13-28(34)23-38-30(35)33-20-18-32(19-21-33)26-10-5-2-6-11-26;1-29-17-15-23(16-18-29)30(2)27(32)35-20-25-10-6-9-24(19-21-7-4-3-5-8-21)31(25)36(33,34)26-13-11-22(28)12-14-26;28-23-12-14-26(15-13-23)36(33,34)31-24(20-22-8-2-1-3-9-22)10-6-11-25(31)21-35-27(32)29-16-7-19-30-17-4-5-18-30;27-22-10-12-25(13-11-22)36(33,34)31-23(18-21-6-2-1-3-7-21)8-4-9-24(31)19-35-26(32)29-14-5-16-30-17-15-28-20-30;1-28(2)17-8-18-29(3)26(31)34-20-24-12-7-11-23(19-21-9-5-4-6-10-21)30(24)35(32,33)25-15-13-22(27)14-16-25/h1,3-4,8-9,12-15,26-28H,2,5-7,10-11,16-23H2;1,3-4,8-9,14-17,26-28H,2,5-7,10-13,18-23H2;3-5,7-8,11-14,23-25H,6,9-10,15-20H2,1-2H3;1-3,8-9,12-15,24-25H,4-7,10-11,16-21H2,(H,29,32);1-3,6-7,10-13,15,17,20,23-24H,4-5,8-9,14,16,18-19H2,(H,29,32);4-6,9-10,13-16,23-24H,7-8,11-12,17-20H2,1-3H3/t2*27-,28+;2*24-,25+;2*23-,24+/m000000/s1.
What are the key properties of [(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl 4-cyclohexylpiperazine-1-carboxylate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-[3-(dimethylamino)propyl]-N-methylcarbamate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-(3-imidazol-1-ylpropyl)carbamate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-methyl-N-(1-methylpiperidin-4-yl)carbamate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl 4-piperidin-1-ylpiperidine-1-carboxylate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-(3-pyrrolidin-1-ylpropyl)carbamate?
[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl 4-cyclohexylpiperazine-1-carboxylate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-[3-(dimethylamino)propyl]-N-methylcarbamate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-(3-imidazol-1-ylpropyl)carbamate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-methyl-N-(1-methylpiperidin-4-yl)carbamate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl 4-piperidin-1-ylpiperidine-1-carboxylate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-(3-pyrrolidin-1-ylpropyl)carbamate has a molecular weight of 3269.81 g/mol, XLogP of 29.55, 51 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl 4-cyclohexylpiperazine-1-carboxylate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-[3-(dimethylamino)propyl]-N-methylcarbamate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-(3-imidazol-1-ylpropyl)carbamate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-methyl-N-(1-methylpiperidin-4-yl)carbamate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl 4-piperidin-1-ylpiperidine-1-carboxylate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-(3-pyrrolidin-1-ylpropyl)carbamate is sourced from PubChem (CID 157081095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).