1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(7-methyl-1,3-benzothiazol-6-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(4-methyl-2,3-dihydro-1H-inden-5-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[2-methyl-4-(trifluoromethyl)phenyl]ethanone;3-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-2-methyl-N-propan-2-ylbenzamide;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]ethanone

C131H196F3N9O22S7 — CID 161248921

About 1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(7-methyl-1,3-benzothiazol-6-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(4-methyl-2,3-dihydro-1H-inden-5-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[2-methyl-4-(trifluoromethyl)phenyl]ethanone;3-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-2-methyl-N-propan-2-ylbenzamide;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]ethanone

1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(7-methyl-1,3-benzothiazol-6-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(4-methyl-2,3-dihydro-1H-inden-5-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[2-methyl-4-(trifluoromethyl)phenyl]ethanone;3-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-2-methyl-N-propan-2-ylbenzamide;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]ethanone (PubChem CID 161248921) has the molecular formula C131H196F3N9O22S7 and a molecular weight of 2530.51 g/mol. Its IUPAC name is 1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(7-methyl-1,3-benzothiazol-6-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(4-methyl-2,3-dihydro-1H-inden-5-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[2-methyl-4-(trifluoromethyl)phenyl]ethanone;3-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-2-methyl-N-propan-2-ylbenzamide;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]ethanone.

Molecular Properties

• Compound Name: 1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(7-methyl-1,3-benzothiazol-6-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(4-methyl-2,3-dihydro-1H-inden-5-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[2-methyl-4-(trifluoromethyl)phenyl]ethanone;3-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-2-methyl-N-propan-2-ylbenzamide;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]ethanone
• PubChem CID: 161248921
• Molecular Formula: C131H196F3N9O22S7
• Molecular Weight: 2530.51 g/mol
• Exact Mass: 2528.25
• IUPAC Name: 1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(7-methyl-1,3-benzothiazol-6-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(4-methyl-2,3-dihydro-1H-inden-5-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[2-methyl-4-(trifluoromethyl)phenyl]ethanone;3-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-2-methyl-N-propan-2-ylbenzamide;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]ethanone
• SMILES: CC1[C@@H](C)O[C@@H](C)CN1c1ccc(CC(=O)N2CCC(CS(=O)(=O)C(C)(C)C)CC2)cc1.Cc1c(CC(=O)N2CCC(CS(=O)(=O)C(C)(C)C)CC2)ccc2c1CCC2.Cc1c(CC(=O)N2CCC(CS(=O)(=O)C(C)(C)C)CC2)ccc2c1OCCO2.Cc1c(CC(=O)N2CCC(CS(=O)(=O)C(C)(C)C)CC2)ccc2ncsc12.Cc1c(CC(=O)N2CCC(CS(=O)(=O)C(C)(C)C)CC2)cccc1C(=O)NC(C)C.Cc1cc(C(F)(F)F)ccc1CC(=O)N1CCC(CS(=O)(=O)C(C)(C)C)CC1
• InChI: InChI=1S/C25H40N2O4S.C23H36N2O4S.C22H33NO3S.C21H31NO5S.C20H28F3NO3S.C20H28N2O3S2/c1-18-16-27(19(2)20(3)31-18)23-9-7-21(8-10-23)15-24(28)26-13-11-22(12-14-26)17-32(29,30)25(4,5)6;1-16(2)24-22(27)20-9-7-8-19(17(20)3)14-21(26)25-12-10-18(11-13-25)15-30(28,29)23(4,5)6;1-16-19(9-8-18-6-5-7-20(16)18)14-21(24)23-12-10-17(11-13-23)15-27(25,26)22(2,3)4;1-15-17(5-6-18-20(15)27-12-11-26-18)13-19(23)22-9-7-16(8-10-22)14-28(24,25)21(2,3)4;1-14-11-17(20(21,22)23)6-5-16(14)12-18(25)24-9-7-15(8-10-24)13-28(26,27)19(2,3)4;1-14-16(5-6-17-19(14)26-13-21-17)11-18(23)22-9-7-15(8-10-22)12-27(24,25)20(2,3)4/h7-10,18-20,22H,11-17H2,1-6H3;7-9,16,18H,10-15H2,1-6H3,(H,24,27);8-9,17H,5-7,10-15H2,1-4H3;5-6,16H,7-14H2,1-4H3;5-6,11,15H,7-10,12-13H2,1-4H3;5-6,13,15H,7-12H2,1-4H3/t18-,19?,20+;;;;;/m0...../s1
• InChIKey: VAZVRNZZHDIHNX-DRQAWGRQSA-N
• XLogP: 20.66
• TPSA: 399.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 25
• Rotatable Bonds: 27
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2530.51
LogP ≤ 5	20.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(7-methyl-1,3-benzothiazol-6-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(4-methyl-2,3-dihydro-1H-inden-5-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[2-methyl-4-(trifluoromethyl)phenyl]ethanone;3-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-2-methyl-N-propan-2-ylbenzamide;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]ethanone?

The IUPAC name of 1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(7-methyl-1,3-benzothiazol-6-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(4-methyl-2,3-dihydro-1H-inden-5-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[2-methyl-4-(trifluoromethyl)phenyl]ethanone;3-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-2-methyl-N-propan-2-ylbenzamide;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]ethanone (CID 161248921) is 1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(7-methyl-1,3-benzothiazol-6-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(4-methyl-2,3-dihydro-1H-inden-5-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[2-methyl-4-(trifluoromethyl)phenyl]ethanone;3-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-2-methyl-N-propan-2-ylbenzamide;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]ethanone.

What is the SMILES notation for 1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(7-methyl-1,3-benzothiazol-6-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(4-methyl-2,3-dihydro-1H-inden-5-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[2-methyl-4-(trifluoromethyl)phenyl]ethanone;3-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-2-methyl-N-propan-2-ylbenzamide;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]ethanone?

The canonical SMILES for 1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(7-methyl-1,3-benzothiazol-6-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(4-methyl-2,3-dihydro-1H-inden-5-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[2-methyl-4-(trifluoromethyl)phenyl]ethanone;3-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-2-methyl-N-propan-2-ylbenzamide;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]ethanone is CC1[C@@H](C)O[C@@H](C)CN1c1ccc(CC(=O)N2CCC(CS(=O)(=O)C(C)(C)C)CC2)cc1.Cc1c(CC(=O)N2CCC(CS(=O)(=O)C(C)(C)C)CC2)ccc2c1CCC2.Cc1c(CC(=O)N2CCC(CS(=O)(=O)C(C)(C)C)CC2)ccc2c1OCCO2.Cc1c(CC(=O)N2CCC(CS(=O)(=O)C(C)(C)C)CC2)ccc2ncsc12.Cc1c(CC(=O)N2CCC(CS(=O)(=O)C(C)(C)C)CC2)cccc1C(=O)NC(C)C.Cc1cc(C(F)(F)F)ccc1CC(=O)N1CCC(CS(=O)(=O)C(C)(C)C)CC1.

What is the InChIKey of 1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(7-methyl-1,3-benzothiazol-6-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(4-methyl-2,3-dihydro-1H-inden-5-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[2-methyl-4-(trifluoromethyl)phenyl]ethanone;3-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-2-methyl-N-propan-2-ylbenzamide;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]ethanone?

The InChIKey is VAZVRNZZHDIHNX-DRQAWGRQSA-N. The full InChI is InChI=1S/C25H40N2O4S.C23H36N2O4S.C22H33NO3S.C21H31NO5S.C20H28F3NO3S.C20H28N2O3S2/c1-18-16-27(19(2)20(3)31-18)23-9-7-21(8-10-23)15-24(28)26-13-11-22(12-14-26)17-32(29,30)25(4,5)6;1-16(2)24-22(27)20-9-7-8-19(17(20)3)14-21(26)25-12-10-18(11-13-25)15-30(28,29)23(4,5)6;1-16-19(9-8-18-6-5-7-20(16)18)14-21(24)23-12-10-17(11-13-23)15-27(25,26)22(2,3)4;1-15-17(5-6-18-20(15)27-12-11-26-18)13-19(23)22-9-7-16(8-10-22)14-28(24,25)21(2,3)4;1-14-11-17(20(21,22)23)6-5-16(14)12-18(25)24-9-7-15(8-10-24)13-28(26,27)19(2,3)4;1-14-16(5-6-17-19(14)26-13-21-17)11-18(23)22-9-7-15(8-10-22)12-27(24,25)20(2,3)4/h7-10,18-20,22H,11-17H2,1-6H3;7-9,16,18H,10-15H2,1-6H3,(H,24,27);8-9,17H,5-7,10-15H2,1-4H3;5-6,16H,7-14H2,1-4H3;5-6,11,15H,7-10,12-13H2,1-4H3;5-6,13,15H,7-12H2,1-4H3/t18-,19?,20+;;;;;/m0...../s1.

What are the key properties of 1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(7-methyl-1,3-benzothiazol-6-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(4-methyl-2,3-dihydro-1H-inden-5-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[2-methyl-4-(trifluoromethyl)phenyl]ethanone;3-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-2-methyl-N-propan-2-ylbenzamide;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]ethanone?

1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(7-methyl-1,3-benzothiazol-6-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(4-methyl-2,3-dihydro-1H-inden-5-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[2-methyl-4-(trifluoromethyl)phenyl]ethanone;3-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-2-methyl-N-propan-2-ylbenzamide;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]ethanone has a molecular weight of 2530.51 g/mol, XLogP of 20.66, 27 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(7-methyl-1,3-benzothiazol-6-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(4-methyl-2,3-dihydro-1H-inden-5-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[2-methyl-4-(trifluoromethyl)phenyl]ethanone;3-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-2-methyl-N-propan-2-ylbenzamide;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]ethanone is sourced from PubChem (CID 161248921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).