1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(3-cyclohexyloxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(4-cyclohexyloxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(cyclopropylmethoxy)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(1,2-oxazol-5-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone

C131H189F3N8O23S6 — CID 158879753

IUPAC1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(3-cyclohexyloxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(4-cyclohexyloxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(cyclopropylmethoxy)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(1,2-oxazol-5-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESCC(C)(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(-c3ccco3)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(-c3ccno3)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(C(F)(F)F)cn2)CC1.CC(C)(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(OC3CCCCC3)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(OCC3CC3)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCN(C(=O)Cc2cccc(OC3CCCCC3)c2)CC1
InChIInChI=1S/2C24H37NO4S.C22H33NO4S.C22H29NO4S.C21H28N2O4S.C18H25F3N2O3S/c1-24(2,3)30(27,28)18-19-12-14-25(15-13-19)23(26)17-20-8-7-11-22(16-20)29-21-9-5-4-6-10-21;1-24(2,3)30(27,28)18-20-13-15-25(16-14-20)23(26)17-19-9-11-22(12-10-19)29-21-7-5-4-6-8-21;1-22(2,3)28(25,26)16-19-10-12-23(13-11-19)21(24)14-17-6-8-20(9-7-17)27-15-18-4-5-18;1-22(2,3)28(25,26)16-18-10-12-23(13-11-18)21(24)15-17-6-8-19(9-7-17)20-5-4-14-27-20;1-21(2,3)28(25,26)15-17-9-12-23(13-10-17)20(24)14-16-4-6-18(7-5-16)19-8-11-22-27-19;1-17(2,3)27(25,26)12-13-6-8-23(9-7-13)16(24)10-15-5-4-14(11-22-15)18(19,20)21/h7-8,11,16,19,21H,4-6,9-10,12-15,17-18H2,1-3H3;9-12,20-21H,4-8,13-18H2,1-3H3;6-9,18-19H,4-5,10-16H2,1-3H3;4-9,14,18H,10-13,15-16H2,1-3H3;4-8,11,17H,9-10,12-15H2,1-3H3;4-5,11,13H,6-10,12H2,1-3H3
InChIKeyJCWQEOWBNUDALM-UHFFFAOYSA-N
MW2493.38 g/mol
LogP22.63
Rot. Bonds33

About 1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(3-cyclohexyloxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(4-cyclohexyloxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(cyclopropylmethoxy)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(1,2-oxazol-5-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone

1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(3-cyclohexyloxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(4-cyclohexyloxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(cyclopropylmethoxy)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(1,2-oxazol-5-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone (PubChem CID 158879753) has the molecular formula C131H189F3N8O23S6 and a molecular weight of 2493.38 g/mol. Its IUPAC name is 1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(3-cyclohexyloxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(4-cyclohexyloxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(cyclopropylmethoxy)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(1,2-oxazol-5-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(3-cyclohexyloxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(4-cyclohexyloxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(cyclopropylmethoxy)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(1,2-oxazol-5-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone
PubChem CID158879753
Molecular FormulaC131H189F3N8O23S6
Molecular Weight2493.38 g/mol
Exact Mass2491.21
IUPAC Name1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(3-cyclohexyloxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(4-cyclohexyloxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(cyclopropylmethoxy)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(1,2-oxazol-5-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESCC(C)(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(-c3ccco3)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(-c3ccno3)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(C(F)(F)F)cn2)CC1.CC(C)(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(OC3CCCCC3)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(OCC3CC3)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCN(C(=O)Cc2cccc(OC3CCCCC3)c2)CC1
InChIInChI=1S/2C24H37NO4S.C22H33NO4S.C22H29NO4S.C21H28N2O4S.C18H25F3N2O3S/c1-24(2,3)30(27,28)18-19-12-14-25(15-13-19)23(26)17-20-8-7-11-22(16-20)29-21-9-5-4-6-10-21;1-24(2,3)30(27,28)18-20-13-15-25(16-14-20)23(26)17-19-9-11-22(12-10-19)29-21-7-5-4-6-8-21;1-22(2,3)28(25,26)16-19-10-12-23(13-11-19)21(24)14-17-6-8-20(9-7-17)27-15-18-4-5-18;1-22(2,3)28(25,26)16-18-10-12-23(13-11-18)21(24)15-17-6-8-19(9-7-17)20-5-4-14-27-20;1-21(2,3)28(25,26)15-17-9-12-23(13-10-17)20(24)14-16-4-6-18(7-5-16)19-8-11-22-27-19;1-17(2,3)27(25,26)12-13-6-8-23(9-7-13)16(24)10-15-5-4-14(11-22-15)18(19,20)21/h7-8,11,16,19,21H,4-6,9-10,12-15,17-18H2,1-3H3;9-12,20-21H,4-8,13-18H2,1-3H3;6-9,18-19H,4-5,10-16H2,1-3H3;4-9,14,18H,10-13,15-16H2,1-3H3;4-8,11,17H,9-10,12-15H2,1-3H3;4-5,11,13H,6-10,12H2,1-3H3
InChIKeyJCWQEOWBNUDALM-UHFFFAOYSA-N
XLogP22.63
TPSA406.45 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds33
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002493.38
LogP ≤ 522.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(3-cyclohexyloxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(4-cyclohexyloxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(cyclopropylmethoxy)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(1,2-oxazol-5-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(3-cyclohexyloxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(4-cyclohexyloxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(cyclopropylmethoxy)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(1,2-oxazol-5-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone?
The IUPAC name of 1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(3-cyclohexyloxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(4-cyclohexyloxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(cyclopropylmethoxy)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(1,2-oxazol-5-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone (CID 158879753) is 1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(3-cyclohexyloxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(4-cyclohexyloxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(cyclopropylmethoxy)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(1,2-oxazol-5-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(3-cyclohexyloxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(4-cyclohexyloxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(cyclopropylmethoxy)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(1,2-oxazol-5-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone?
The canonical SMILES for 1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(3-cyclohexyloxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(4-cyclohexyloxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(cyclopropylmethoxy)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(1,2-oxazol-5-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone is CC(C)(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(-c3ccco3)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(-c3ccno3)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(C(F)(F)F)cn2)CC1.CC(C)(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(OC3CCCCC3)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(OCC3CC3)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCN(C(=O)Cc2cccc(OC3CCCCC3)c2)CC1.
What is the InChIKey of 1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(3-cyclohexyloxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(4-cyclohexyloxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(cyclopropylmethoxy)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(1,2-oxazol-5-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone?
The InChIKey is JCWQEOWBNUDALM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H37NO4S.C22H33NO4S.C22H29NO4S.C21H28N2O4S.C18H25F3N2O3S/c1-24(2,3)30(27,28)18-19-12-14-25(15-13-19)23(26)17-20-8-7-11-22(16-20)29-21-9-5-4-6-10-21;1-24(2,3)30(27,28)18-20-13-15-25(16-14-20)23(26)17-19-9-11-22(12-10-19)29-21-7-5-4-6-8-21;1-22(2,3)28(25,26)16-19-10-12-23(13-11-19)21(24)14-17-6-8-20(9-7-17)27-15-18-4-5-18;1-22(2,3)28(25,26)16-18-10-12-23(13-11-18)21(24)15-17-6-8-19(9-7-17)20-5-4-14-27-20;1-21(2,3)28(25,26)15-17-9-12-23(13-10-17)20(24)14-16-4-6-18(7-5-16)19-8-11-22-27-19;1-17(2,3)27(25,26)12-13-6-8-23(9-7-13)16(24)10-15-5-4-14(11-22-15)18(19,20)21/h7-8,11,16,19,21H,4-6,9-10,12-15,17-18H2,1-3H3;9-12,20-21H,4-8,13-18H2,1-3H3;6-9,18-19H,4-5,10-16H2,1-3H3;4-9,14,18H,10-13,15-16H2,1-3H3;4-8,11,17H,9-10,12-15H2,1-3H3;4-5,11,13H,6-10,12H2,1-3H3.
What are the key properties of 1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(3-cyclohexyloxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(4-cyclohexyloxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(cyclopropylmethoxy)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(1,2-oxazol-5-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone?
1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(3-cyclohexyloxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(4-cyclohexyloxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(cyclopropylmethoxy)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(1,2-oxazol-5-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone has a molecular weight of 2493.38 g/mol, XLogP of 22.63, 33 rotatable bonds, 0 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-(3-cyclohexyloxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(4-cyclohexyloxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(cyclopropylmethoxy)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(1,2-oxazol-5-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 158879753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).