[(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

C147H193Cl5N16O20S5 — CID 160807322

About [(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

[(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 (PubChem CID 160807322) has the molecular formula C147H193Cl5N16O20S5 and a molecular weight of 2841.85 g/mol. Its IUPAC name is [(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.

Molecular Properties

• Compound Name: [(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
• PubChem CID: 160807322
• Molecular Formula: C147H193Cl5N16O20S5
• Molecular Weight: 2841.85 g/mol
• Exact Mass: 2837.16
• IUPAC Name: [(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
• SMILES: C[C@@H]1CN(CC2CC2)CCN1C(=O)OC[C@H]1CC[C@@H](Cc2ccccc2)CN1S(=O)(=O)c1ccc(Cl)cc1.O=C(NCCCn1ccnc1)OC[C@H]1CCC[C@@H](CCc2ccccc2)N1S(=O)(=O)c1ccc(Cl)cc1.O=C(OC[C@H]1CCC[C@@H](CCc2ccccc2)N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(N2CCCCC2)CC1.O=C(OC[C@H]1CC[C@@H](Cc2ccccc2)CN1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(N2CCCCC2)CC1.O=C(OC[C@H]1CC[C@@H](Cc2ccccc2)CN1S(=O)(=O)c1ccc(Cl)cc1)N1CCN(C2CCCCC2)CC1
• InChI: InChI=1S/C31H42ClN3O4S.2C30H40ClN3O4S.C29H38ClN3O4S.C27H33ClN4O4S/c32-26-13-16-30(17-14-26)40(37,38)35-28(15-12-25-8-3-1-4-9-25)10-7-11-29(35)24-39-31(36)34-22-18-27(19-23-34)33-20-5-2-6-21-33;31-26-10-13-29(14-11-26)39(36,37)34-22-25(21-24-7-3-1-4-8-24)9-12-28(34)23-38-30(35)33-19-15-27(16-20-33)32-17-5-2-6-18-32;31-26-12-15-29(16-13-26)39(36,37)34-22-25(21-24-7-3-1-4-8-24)11-14-28(34)23-38-30(35)33-19-17-32(18-20-33)27-9-5-2-6-10-27;1-22-18-31(19-24-7-8-24)15-16-32(22)29(34)37-21-27-12-9-25(17-23-5-3-2-4-6-23)20-33(27)38(35,36)28-13-10-26(30)11-14-28;28-23-11-14-26(15-12-23)37(34,35)32-24(13-10-22-6-2-1-3-7-22)8-4-9-25(32)20-36-27(33)30-16-5-18-31-19-17-29-21-31/h1,3-4,8-9,13-14,16-17,27-29H,2,5-7,10-12,15,18-24H2;1,3-4,7-8,10-11,13-14,25,27-28H,2,5-6,9,12,15-23H2;1,3-4,7-8,12-13,15-16,25,27-28H,2,5-6,9-11,14,17-23H2;2-6,10-11,13-14,22,24-25,27H,7-9,12,15-21H2,1H3;1-3,6-7,11-12,14-15,17,19,21,24-25H,4-5,8-10,13,16,18,20H2,(H,30,33)/t28-,29+;2*25-,28+;22-,25+,27-;24-,25+/m00010/s1
• InChIKey: SDWBGBRDDGQPIG-UPQDEPIYSA-N
• XLogP: 26.65
• TPSA: 374.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Rotatable Bonds: 41
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2841.85
LogP ≤ 5	26.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(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?

The IUPAC name of [(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) is [(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.

What is the SMILES notation for [(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?

The canonical SMILES for [(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 is C[C@@H]1CN(CC2CC2)CCN1C(=O)OC[C@H]1CC[C@@H](Cc2ccccc2)CN1S(=O)(=O)c1ccc(Cl)cc1.O=C(NCCCn1ccnc1)OC[C@H]1CCC[C@@H](CCc2ccccc2)N1S(=O)(=O)c1ccc(Cl)cc1.O=C(OC[C@H]1CCC[C@@H](CCc2ccccc2)N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(N2CCCCC2)CC1.O=C(OC[C@H]1CC[C@@H](Cc2ccccc2)CN1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(N2CCCCC2)CC1.O=C(OC[C@H]1CC[C@@H](Cc2ccccc2)CN1S(=O)(=O)c1ccc(Cl)cc1)N1CCN(C2CCCCC2)CC1.

What is the InChIKey of [(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?

The InChIKey is SDWBGBRDDGQPIG-UPQDEPIYSA-N. The full InChI is InChI=1S/C31H42ClN3O4S.2C30H40ClN3O4S.C29H38ClN3O4S.C27H33ClN4O4S/c32-26-13-16-30(17-14-26)40(37,38)35-28(15-12-25-8-3-1-4-9-25)10-7-11-29(35)24-39-31(36)34-22-18-27(19-23-34)33-20-5-2-6-21-33;31-26-10-13-29(14-11-26)39(36,37)34-22-25(21-24-7-3-1-4-8-24)9-12-28(34)23-38-30(35)33-19-15-27(16-20-33)32-17-5-2-6-18-32;31-26-12-15-29(16-13-26)39(36,37)34-22-25(21-24-7-3-1-4-8-24)11-14-28(34)23-38-30(35)33-19-17-32(18-20-33)27-9-5-2-6-10-27;1-22-18-31(19-24-7-8-24)15-16-32(22)29(34)37-21-27-12-9-25(17-23-5-3-2-4-6-23)20-33(27)38(35,36)28-13-10-26(30)11-14-28;28-23-11-14-26(15-12-23)37(34,35)32-24(13-10-22-6-2-1-3-7-22)8-4-9-25(32)20-36-27(33)30-16-5-18-31-19-17-29-21-31/h1,3-4,8-9,13-14,16-17,27-29H,2,5-7,10-12,15,18-24H2;1,3-4,7-8,10-11,13-14,25,27-28H,2,5-6,9,12,15-23H2;1,3-4,7-8,12-13,15-16,25,27-28H,2,5-6,9-11,14,17-23H2;2-6,10-11,13-14,22,24-25,27H,7-9,12,15-21H2,1H3;1-3,6-7,11-12,14-15,17,19,21,24-25H,4-5,8-10,13,16,18,20H2,(H,30,33)/t28-,29+;2*25-,28+;22-,25+,27-;24-,25+/m00010/s1.

What are the key properties of [(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?

[(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 has a molecular weight of 2841.85 g/mol, XLogP of 26.65, 41 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for [(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 is sourced from PubChem (CID 160807322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).