3-(4-acetylphenyl)-1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)propan-1-one;N-cyclopropyl-4-[3-(3,5-dimethylpiperidin-1-yl)-1-(2-hydroxy-6-methoxy-4-methylphenyl)-3-oxopropyl]benzamide;1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)-3-(3-methylsulfonylphenyl)propan-1-one;4-[3-(3,5-dimethylpiperidin-1-yl)-1-(2-hydroxy-6-methoxy-4-methylphenyl)-3-oxopropyl]-N,N-dimethylbenzenesulfonamide

C105H138N6O18S2 — CID 159093848

IUPAC3-(4-acetylphenyl)-1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)propan-1-one;N-cyclopropyl-4-[3-(3,5-dimethylpiperidin-1-yl)-1-(2-hydroxy-6-methoxy-4-methylphenyl)-3-oxopropyl]benzamide;1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)-3-(3-methylsulfonylphenyl)propan-1-one;4-[3-(3,5-dimethylpiperidin-1-yl)-1-(2-hydroxy-6-methoxy-4-methylphenyl)-3-oxopropyl]-N,N-dimethylbenzenesulfonamide
SMILESCOc1cc(C)cc(O)c1C(CC(=O)N1CC(C)CC(C)C1)c1ccc(C(=O)NC2CC2)cc1.COc1cc(C)cc(O)c1C(CC(=O)N1CC(C)CC(C)C1)c1ccc(C(C)=O)cc1.COc1cc(C)cc(O)c1C(CC(=O)N1CC(C)CC(C)C1)c1ccc(S(=O)(=O)N(C)C)cc1.COc1cc(C)cc(O)c1C(CC(=O)N1CC(C)CC(C)C1)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C28H36N2O4.C26H36N2O5S.C26H33NO4.C25H33NO5S/c1-17-12-24(31)27(25(13-17)34-4)23(14-26(32)30-15-18(2)11-19(3)16-30)20-5-7-21(8-6-20)28(33)29-22-9-10-22;1-17-12-23(29)26(24(13-17)33-6)22(14-25(30)28-15-18(2)11-19(3)16-28)20-7-9-21(10-8-20)34(31,32)27(4)5;1-16-11-23(29)26(24(12-16)31-5)22(21-8-6-20(7-9-21)19(4)28)13-25(30)27-14-17(2)10-18(3)15-27;1-16-10-22(27)25(23(11-16)31-4)21(19-7-6-8-20(12-19)32(5,29)30)13-24(28)26-14-17(2)9-18(3)15-26/h5-8,12-13,18-19,22-23,31H,9-11,14-16H2,1-4H3,(H,29,33);7-10,12-13,18-19,22,29H,11,14-16H2,1-6H3;6-9,11-12,17-18,22,29H,10,13-15H2,1-5H3;6-8,10-12,17-18,21,27H,9,13-15H2,1-5H3
InChIKeyKCKILDWTSSLXFU-UHFFFAOYSA-N
MW1836.42 g/mol
LogP17.69
Rot. Bonds26

About 3-(4-acetylphenyl)-1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)propan-1-one;N-cyclopropyl-4-[3-(3,5-dimethylpiperidin-1-yl)-1-(2-hydroxy-6-methoxy-4-methylphenyl)-3-oxopropyl]benzamide;1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)-3-(3-methylsulfonylphenyl)propan-1-one;4-[3-(3,5-dimethylpiperidin-1-yl)-1-(2-hydroxy-6-methoxy-4-methylphenyl)-3-oxopropyl]-N,N-dimethylbenzenesulfonamide

3-(4-acetylphenyl)-1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)propan-1-one;N-cyclopropyl-4-[3-(3,5-dimethylpiperidin-1-yl)-1-(2-hydroxy-6-methoxy-4-methylphenyl)-3-oxopropyl]benzamide;1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)-3-(3-methylsulfonylphenyl)propan-1-one;4-[3-(3,5-dimethylpiperidin-1-yl)-1-(2-hydroxy-6-methoxy-4-methylphenyl)-3-oxopropyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 159093848) has the molecular formula C105H138N6O18S2 and a molecular weight of 1836.42 g/mol. Its IUPAC name is 3-(4-acetylphenyl)-1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)propan-1-one;N-cyclopropyl-4-[3-(3,5-dimethylpiperidin-1-yl)-1-(2-hydroxy-6-methoxy-4-methylphenyl)-3-oxopropyl]benzamide;1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)-3-(3-methylsulfonylphenyl)propan-1-one;4-[3-(3,5-dimethylpiperidin-1-yl)-1-(2-hydroxy-6-methoxy-4-methylphenyl)-3-oxopropyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-(4-acetylphenyl)-1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)propan-1-one;N-cyclopropyl-4-[3-(3,5-dimethylpiperidin-1-yl)-1-(2-hydroxy-6-methoxy-4-methylphenyl)-3-oxopropyl]benzamide;1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)-3-(3-methylsulfonylphenyl)propan-1-one;4-[3-(3,5-dimethylpiperidin-1-yl)-1-(2-hydroxy-6-methoxy-4-methylphenyl)-3-oxopropyl]-N,N-dimethylbenzenesulfonamide
PubChem CID159093848
Molecular FormulaC105H138N6O18S2
Molecular Weight1836.42 g/mol
Exact Mass1834.95
IUPAC Name3-(4-acetylphenyl)-1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)propan-1-one;N-cyclopropyl-4-[3-(3,5-dimethylpiperidin-1-yl)-1-(2-hydroxy-6-methoxy-4-methylphenyl)-3-oxopropyl]benzamide;1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)-3-(3-methylsulfonylphenyl)propan-1-one;4-[3-(3,5-dimethylpiperidin-1-yl)-1-(2-hydroxy-6-methoxy-4-methylphenyl)-3-oxopropyl]-N,N-dimethylbenzenesulfonamide
SMILESCOc1cc(C)cc(O)c1C(CC(=O)N1CC(C)CC(C)C1)c1ccc(C(=O)NC2CC2)cc1.COc1cc(C)cc(O)c1C(CC(=O)N1CC(C)CC(C)C1)c1ccc(C(C)=O)cc1.COc1cc(C)cc(O)c1C(CC(=O)N1CC(C)CC(C)C1)c1ccc(S(=O)(=O)N(C)C)cc1.COc1cc(C)cc(O)c1C(CC(=O)N1CC(C)CC(C)C1)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C28H36N2O4.C26H36N2O5S.C26H33NO4.C25H33NO5S/c1-17-12-24(31)27(25(13-17)34-4)23(14-26(32)30-15-18(2)11-19(3)16-30)20-5-7-21(8-6-20)28(33)29-22-9-10-22;1-17-12-23(29)26(24(13-17)33-6)22(14-25(30)28-15-18(2)11-19(3)16-28)20-7-9-21(10-8-20)34(31,32)27(4)5;1-16-11-23(29)26(24(12-16)31-5)22(21-8-6-20(7-9-21)19(4)28)13-25(30)27-14-17(2)10-18(3)15-27;1-16-10-22(27)25(23(11-16)31-4)21(19-7-6-8-20(12-19)32(5,29)30)13-24(28)26-14-17(2)9-18(3)15-26/h5-8,12-13,18-19,22-23,31H,9-11,14-16H2,1-4H3,(H,29,33);7-10,12-13,18-19,22,29H,11,14-16H2,1-6H3;6-9,11-12,17-18,22,29H,10,13-15H2,1-5H3;6-8,10-12,17-18,21,27H,9,13-15H2,1-5H3
InChIKeyKCKILDWTSSLXFU-UHFFFAOYSA-N
XLogP17.69
TPSA316.77 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds26
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001836.42
LogP ≤ 517.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Analyze 3-(4-acetylphenyl)-1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)propan-1-one;N-cyclopropyl-4-[3-(3,5-dimethylpiperidin-1-yl)-1-(2-hydroxy-6-methoxy-4-methylphenyl)-3-oxopropyl]benzamide;1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)-3-(3-methylsulfonylphenyl)propan-1-one;4-[3-(3,5-dimethylpiperidin-1-yl)-1-(2-hydroxy-6-methoxy-4-methylphenyl)-3-oxopropyl]-N,N-dimethylbenzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylphenyl)-1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)propan-1-one;N-cyclopropyl-4-[3-(3,5-dimethylpiperidin-1-yl)-1-(2-hydroxy-6-methoxy-4-methylphenyl)-3-oxopropyl]benzamide;1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)-3-(3-methylsulfonylphenyl)propan-1-one;4-[3-(3,5-dimethylpiperidin-1-yl)-1-(2-hydroxy-6-methoxy-4-methylphenyl)-3-oxopropyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-(4-acetylphenyl)-1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)propan-1-one;N-cyclopropyl-4-[3-(3,5-dimethylpiperidin-1-yl)-1-(2-hydroxy-6-methoxy-4-methylphenyl)-3-oxopropyl]benzamide;1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)-3-(3-methylsulfonylphenyl)propan-1-one;4-[3-(3,5-dimethylpiperidin-1-yl)-1-(2-hydroxy-6-methoxy-4-methylphenyl)-3-oxopropyl]-N,N-dimethylbenzenesulfonamide (CID 159093848) is 3-(4-acetylphenyl)-1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)propan-1-one;N-cyclopropyl-4-[3-(3,5-dimethylpiperidin-1-yl)-1-(2-hydroxy-6-methoxy-4-methylphenyl)-3-oxopropyl]benzamide;1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)-3-(3-methylsulfonylphenyl)propan-1-one;4-[3-(3,5-dimethylpiperidin-1-yl)-1-(2-hydroxy-6-methoxy-4-methylphenyl)-3-oxopropyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-(4-acetylphenyl)-1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)propan-1-one;N-cyclopropyl-4-[3-(3,5-dimethylpiperidin-1-yl)-1-(2-hydroxy-6-methoxy-4-methylphenyl)-3-oxopropyl]benzamide;1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)-3-(3-methylsulfonylphenyl)propan-1-one;4-[3-(3,5-dimethylpiperidin-1-yl)-1-(2-hydroxy-6-methoxy-4-methylphenyl)-3-oxopropyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-(4-acetylphenyl)-1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)propan-1-one;N-cyclopropyl-4-[3-(3,5-dimethylpiperidin-1-yl)-1-(2-hydroxy-6-methoxy-4-methylphenyl)-3-oxopropyl]benzamide;1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)-3-(3-methylsulfonylphenyl)propan-1-one;4-[3-(3,5-dimethylpiperidin-1-yl)-1-(2-hydroxy-6-methoxy-4-methylphenyl)-3-oxopropyl]-N,N-dimethylbenzenesulfonamide is COc1cc(C)cc(O)c1C(CC(=O)N1CC(C)CC(C)C1)c1ccc(C(=O)NC2CC2)cc1.COc1cc(C)cc(O)c1C(CC(=O)N1CC(C)CC(C)C1)c1ccc(C(C)=O)cc1.COc1cc(C)cc(O)c1C(CC(=O)N1CC(C)CC(C)C1)c1ccc(S(=O)(=O)N(C)C)cc1.COc1cc(C)cc(O)c1C(CC(=O)N1CC(C)CC(C)C1)c1cccc(S(C)(=O)=O)c1.
What is the InChIKey of 3-(4-acetylphenyl)-1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)propan-1-one;N-cyclopropyl-4-[3-(3,5-dimethylpiperidin-1-yl)-1-(2-hydroxy-6-methoxy-4-methylphenyl)-3-oxopropyl]benzamide;1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)-3-(3-methylsulfonylphenyl)propan-1-one;4-[3-(3,5-dimethylpiperidin-1-yl)-1-(2-hydroxy-6-methoxy-4-methylphenyl)-3-oxopropyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is KCKILDWTSSLXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O4.C26H36N2O5S.C26H33NO4.C25H33NO5S/c1-17-12-24(31)27(25(13-17)34-4)23(14-26(32)30-15-18(2)11-19(3)16-30)20-5-7-21(8-6-20)28(33)29-22-9-10-22;1-17-12-23(29)26(24(13-17)33-6)22(14-25(30)28-15-18(2)11-19(3)16-28)20-7-9-21(10-8-20)34(31,32)27(4)5;1-16-11-23(29)26(24(12-16)31-5)22(21-8-6-20(7-9-21)19(4)28)13-25(30)27-14-17(2)10-18(3)15-27;1-16-10-22(27)25(23(11-16)31-4)21(19-7-6-8-20(12-19)32(5,29)30)13-24(28)26-14-17(2)9-18(3)15-26/h5-8,12-13,18-19,22-23,31H,9-11,14-16H2,1-4H3,(H,29,33);7-10,12-13,18-19,22,29H,11,14-16H2,1-6H3;6-9,11-12,17-18,22,29H,10,13-15H2,1-5H3;6-8,10-12,17-18,21,27H,9,13-15H2,1-5H3.
What are the key properties of 3-(4-acetylphenyl)-1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)propan-1-one;N-cyclopropyl-4-[3-(3,5-dimethylpiperidin-1-yl)-1-(2-hydroxy-6-methoxy-4-methylphenyl)-3-oxopropyl]benzamide;1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)-3-(3-methylsulfonylphenyl)propan-1-one;4-[3-(3,5-dimethylpiperidin-1-yl)-1-(2-hydroxy-6-methoxy-4-methylphenyl)-3-oxopropyl]-N,N-dimethylbenzenesulfonamide?
3-(4-acetylphenyl)-1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)propan-1-one;N-cyclopropyl-4-[3-(3,5-dimethylpiperidin-1-yl)-1-(2-hydroxy-6-methoxy-4-methylphenyl)-3-oxopropyl]benzamide;1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)-3-(3-methylsulfonylphenyl)propan-1-one;4-[3-(3,5-dimethylpiperidin-1-yl)-1-(2-hydroxy-6-methoxy-4-methylphenyl)-3-oxopropyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 1836.42 g/mol, XLogP of 17.69, 26 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylphenyl)-1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)propan-1-one;N-cyclopropyl-4-[3-(3,5-dimethylpiperidin-1-yl)-1-(2-hydroxy-6-methoxy-4-methylphenyl)-3-oxopropyl]benzamide;1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)-3-(3-methylsulfonylphenyl)propan-1-one;4-[3-(3,5-dimethylpiperidin-1-yl)-1-(2-hydroxy-6-methoxy-4-methylphenyl)-3-oxopropyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 159093848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).