N-[[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methyl]methanesulfonamide;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-tert-butylpiperidin-1-yl)piperidin-1-yl]methanone;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-ethoxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-pyridin-4-ylpiperidin-1-yl)piperidin-1-yl]methanone;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]propane-2-sulfonamide

C152H217Cl2N23O10S2 — CID 158918074

About N-[[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methyl]methanesulfonamide;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-tert-butylpiperidin-1-yl)piperidin-1-yl]methanone;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-ethoxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-pyridin-4-ylpiperidin-1-yl)piperidin-1-yl]methanone;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]propane-2-sulfonamide

N-[[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methyl]methanesulfonamide;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-tert-butylpiperidin-1-yl)piperidin-1-yl]methanone;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-ethoxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-pyridin-4-ylpiperidin-1-yl)piperidin-1-yl]methanone;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]propane-2-sulfonamide (PubChem CID 158918074) has the molecular formula C152H217Cl2N23O10S2 and a molecular weight of 2661.60 g/mol. Its IUPAC name is N-[[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methyl]methanesulfonamide;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-tert-butylpiperidin-1-yl)piperidin-1-yl]methanone;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-ethoxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-pyridin-4-ylpiperidin-1-yl)piperidin-1-yl]methanone;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]propane-2-sulfonamide.

Molecular Properties

• Compound Name: N-[[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methyl]methanesulfonamide;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-tert-butylpiperidin-1-yl)piperidin-1-yl]methanone;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-ethoxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-pyridin-4-ylpiperidin-1-yl)piperidin-1-yl]methanone;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]propane-2-sulfonamide
• PubChem CID: 158918074
• Molecular Formula: C152H217Cl2N23O10S2
• Molecular Weight: 2661.60 g/mol
• Exact Mass: 2658.60
• IUPAC Name: N-[[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methyl]methanesulfonamide;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-tert-butylpiperidin-1-yl)piperidin-1-yl]methanone;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-ethoxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-pyridin-4-ylpiperidin-1-yl)piperidin-1-yl]methanone;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]propane-2-sulfonamide
• SMILES: CCOC1CCN(C2CCN(C(=O)c3ncnc(CCc4ccc(C(C)(C)C)cc4)c3C)CC2)CC1.Cc1c(CCc2ccc(C(C)(C)C)cc2)ncnc1C(=O)N1CCC(N2CCC(C(C)(C)C)CC2)CC1.Cc1c(CCc2ccc(C(C)(C)C)cc2)ncnc1C(=O)N1CCC(N2CCC(CNS(C)(=O)=O)CC2)CC1.Cc1c(CCc2ccc(C(C)(C)C)cc2)ncnc1C(=O)N1CCC(N2CCC(c3ccncc3)CC2)CC1.Cc1c(CCc2ccc(Cl)c(Cl)c2)ncnc1C(=O)N1CCC(N2CCC(NS(=O)(=O)C(C)C)CC2)CC1
• InChI: InChI=1S/C33H43N5O.C32H48N4O.C30H45N5O3S.C30H44N4O2.C27H37Cl2N5O3S/c1-24-30(10-7-25-5-8-28(9-6-25)33(2,3)4)35-23-36-31(24)32(39)38-21-15-29(16-22-38)37-19-13-27(14-20-37)26-11-17-34-18-12-26;1-23-28(13-10-24-8-11-25(12-9-24)31(2,3)4)33-22-34-29(23)30(37)36-20-16-27(17-21-36)35-18-14-26(15-19-35)32(5,6)7;1-22-27(11-8-23-6-9-25(10-7-23)30(2,3)4)31-21-32-28(22)29(36)35-18-14-26(15-19-35)34-16-12-24(13-17-34)20-33-39(5,37)38;1-6-36-26-15-19-33(20-16-26)25-13-17-34(18-14-25)29(35)28-22(2)27(31-21-32-28)12-9-23-7-10-24(11-8-23)30(3,4)5;1-18(2)38(36,37)32-21-8-12-33(13-9-21)22-10-14-34(15-11-22)27(35)26-19(3)25(30-17-31-26)7-5-20-4-6-23(28)24(29)16-20/h5-6,8-9,11-12,17-18,23,27,29H,7,10,13-16,19-22H2,1-4H3;8-9,11-12,22,26-27H,10,13-21H2,1-7H3;6-7,9-10,21,24,26,33H,8,11-20H2,1-5H3;7-8,10-11,21,25-26H,6,9,12-20H2,1-5H3;4,6,16-18,21-22,32H,5,7-15H2,1-3H3
• InChIKey: JHMHRCOBLHGCRV-UHFFFAOYSA-N
• XLogP: 24.96
• TPSA: 361.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 34
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2661.60
LogP ≤ 5	24.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of N-[[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methyl]methanesulfonamide;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-tert-butylpiperidin-1-yl)piperidin-1-yl]methanone;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-ethoxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-pyridin-4-ylpiperidin-1-yl)piperidin-1-yl]methanone;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]propane-2-sulfonamide?

The IUPAC name of N-[[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methyl]methanesulfonamide;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-tert-butylpiperidin-1-yl)piperidin-1-yl]methanone;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-ethoxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-pyridin-4-ylpiperidin-1-yl)piperidin-1-yl]methanone;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]propane-2-sulfonamide (CID 158918074) is N-[[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methyl]methanesulfonamide;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-tert-butylpiperidin-1-yl)piperidin-1-yl]methanone;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-ethoxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-pyridin-4-ylpiperidin-1-yl)piperidin-1-yl]methanone;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]propane-2-sulfonamide.

What is the SMILES notation for N-[[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methyl]methanesulfonamide;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-tert-butylpiperidin-1-yl)piperidin-1-yl]methanone;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-ethoxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-pyridin-4-ylpiperidin-1-yl)piperidin-1-yl]methanone;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]propane-2-sulfonamide?

The canonical SMILES for N-[[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methyl]methanesulfonamide;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-tert-butylpiperidin-1-yl)piperidin-1-yl]methanone;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-ethoxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-pyridin-4-ylpiperidin-1-yl)piperidin-1-yl]methanone;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]propane-2-sulfonamide is CCOC1CCN(C2CCN(C(=O)c3ncnc(CCc4ccc(C(C)(C)C)cc4)c3C)CC2)CC1.Cc1c(CCc2ccc(C(C)(C)C)cc2)ncnc1C(=O)N1CCC(N2CCC(C(C)(C)C)CC2)CC1.Cc1c(CCc2ccc(C(C)(C)C)cc2)ncnc1C(=O)N1CCC(N2CCC(CNS(C)(=O)=O)CC2)CC1.Cc1c(CCc2ccc(C(C)(C)C)cc2)ncnc1C(=O)N1CCC(N2CCC(c3ccncc3)CC2)CC1.Cc1c(CCc2ccc(Cl)c(Cl)c2)ncnc1C(=O)N1CCC(N2CCC(NS(=O)(=O)C(C)C)CC2)CC1.

What is the InChIKey of N-[[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methyl]methanesulfonamide;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-tert-butylpiperidin-1-yl)piperidin-1-yl]methanone;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-ethoxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-pyridin-4-ylpiperidin-1-yl)piperidin-1-yl]methanone;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]propane-2-sulfonamide?

The InChIKey is JHMHRCOBLHGCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H43N5O.C32H48N4O.C30H45N5O3S.C30H44N4O2.C27H37Cl2N5O3S/c1-24-30(10-7-25-5-8-28(9-6-25)33(2,3)4)35-23-36-31(24)32(39)38-21-15-29(16-22-38)37-19-13-27(14-20-37)26-11-17-34-18-12-26;1-23-28(13-10-24-8-11-25(12-9-24)31(2,3)4)33-22-34-29(23)30(37)36-20-16-27(17-21-36)35-18-14-26(15-19-35)32(5,6)7;1-22-27(11-8-23-6-9-25(10-7-23)30(2,3)4)31-21-32-28(22)29(36)35-18-14-26(15-19-35)34-16-12-24(13-17-34)20-33-39(5,37)38;1-6-36-26-15-19-33(20-16-26)25-13-17-34(18-14-25)29(35)28-22(2)27(31-21-32-28)12-9-23-7-10-24(11-8-23)30(3,4)5;1-18(2)38(36,37)32-21-8-12-33(13-9-21)22-10-14-34(15-11-22)27(35)26-19(3)25(30-17-31-26)7-5-20-4-6-23(28)24(29)16-20/h5-6,8-9,11-12,17-18,23,27,29H,7,10,13-16,19-22H2,1-4H3;8-9,11-12,22,26-27H,10,13-21H2,1-7H3;6-7,9-10,21,24,26,33H,8,11-20H2,1-5H3;7-8,10-11,21,25-26H,6,9,12-20H2,1-5H3;4,6,16-18,21-22,32H,5,7-15H2,1-3H3.

What are the key properties of N-[[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methyl]methanesulfonamide;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-tert-butylpiperidin-1-yl)piperidin-1-yl]methanone;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-ethoxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-pyridin-4-ylpiperidin-1-yl)piperidin-1-yl]methanone;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]propane-2-sulfonamide?

N-[[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methyl]methanesulfonamide;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-tert-butylpiperidin-1-yl)piperidin-1-yl]methanone;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-ethoxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-pyridin-4-ylpiperidin-1-yl)piperidin-1-yl]methanone;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]propane-2-sulfonamide has a molecular weight of 2661.60 g/mol, XLogP of 24.96, 34 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methyl]methanesulfonamide;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-tert-butylpiperidin-1-yl)piperidin-1-yl]methanone;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-ethoxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-pyridin-4-ylpiperidin-1-yl)piperidin-1-yl]methanone;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]propane-2-sulfonamide is sourced from PubChem (CID 158918074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).