N-[1-[1-[6-[2-(3-chlorophenyl)piperidin-1-yl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[3-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]methanone;N-methyl-N-[1-[1-[5-methyl-6-[3-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[5-methyl-6-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide

C115H155ClF9N23O12S3 — CID 159138704

About N-[1-[1-[6-[2-(3-chlorophenyl)piperidin-1-yl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[3-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]methanone;N-methyl-N-[1-[1-[5-methyl-6-[3-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[5-methyl-6-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide

N-[1-[1-[6-[2-(3-chlorophenyl)piperidin-1-yl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[3-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]methanone;N-methyl-N-[1-[1-[5-methyl-6-[3-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[5-methyl-6-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide (PubChem CID 159138704) has the molecular formula C115H155ClF9N23O12S3 and a molecular weight of 2354.29 g/mol. Its IUPAC name is N-[1-[1-[6-[2-(3-chlorophenyl)piperidin-1-yl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[3-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]methanone;N-methyl-N-[1-[1-[5-methyl-6-[3-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[5-methyl-6-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[1-[1-[6-[2-(3-chlorophenyl)piperidin-1-yl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[3-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]methanone;N-methyl-N-[1-[1-[5-methyl-6-[3-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[5-methyl-6-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide
• PubChem CID: 159138704
• Molecular Formula: C115H155ClF9N23O12S3
• Molecular Weight: 2354.29 g/mol
• Exact Mass: 2352.09
• IUPAC Name: N-[1-[1-[6-[2-(3-chlorophenyl)piperidin-1-yl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[3-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]methanone;N-methyl-N-[1-[1-[5-methyl-6-[3-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[5-methyl-6-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide
• SMILES: COC1COCCC1NC1CCN(C(=O)c2ncnc(N3CCCC(c4ccc(C(F)(F)F)cc4)C3)c2C)CC1.Cc1c(C(=O)N2CCC(N3CCC(N(C)S(C)(=O)=O)CC3)CC2)ncnc1N1CCCC(c2ccc(C(F)(F)F)cc2)C1.Cc1c(C(=O)N2CCC(N3CCC(N(C)S(C)(=O)=O)CC3)CC2)ncnc1N1CCCCC1c1cccc(Cl)c1.Cc1c(C(=O)N2CCC(N3CCC(NS(C)(=O)=O)CC3)CC2)ncnc1N1CCc2ccc(C(F)(F)F)cc2C1
• InChI: InChI=1S/C30H41F3N6O3S.C29H41ClN6O3S.C29H38F3N5O3.C27H35F3N6O3S/c1-21-27(29(40)38-17-12-26(13-18-38)37-15-10-25(11-16-37)36(2)43(3,41)42)34-20-35-28(21)39-14-4-5-23(19-39)22-6-8-24(9-7-22)30(31,32)33;1-21-27(31-20-32-28(21)36-14-5-4-9-26(36)22-7-6-8-23(30)19-22)29(37)35-17-12-25(13-18-35)34-15-10-24(11-16-34)33(2)40(3,38)39;1-19-26(28(38)36-13-9-23(10-14-36)35-24-11-15-40-17-25(24)39-2)33-18-34-27(19)37-12-3-4-21(16-37)20-5-7-22(8-6-20)29(30,31)32;1-18-24(26(37)35-13-8-23(9-14-35)34-11-6-22(7-12-34)33-40(2,38)39)31-17-32-25(18)36-10-5-19-3-4-21(27(28,29)30)15-20(19)16-36/h6-9,20,23,25-26H,4-5,10-19H2,1-3H3;6-8,19-20,24-26H,4-5,9-18H2,1-3H3;5-8,18,21,23-25,35H,3-4,9-17H2,1-2H3;3-4,15,17,22-23,33H,5-14,16H2,1-2H3
• InChIKey: KHVBWSLRCNUIHN-UHFFFAOYSA-N
• XLogP: 15.45
• TPSA: 358.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 28
• Rotatable Bonds: 23
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2354.29
LogP ≤ 5	15.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[6-[2-(3-chlorophenyl)piperidin-1-yl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[3-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]methanone;N-methyl-N-[1-[1-[5-methyl-6-[3-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[5-methyl-6-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide?

The IUPAC name of N-[1-[1-[6-[2-(3-chlorophenyl)piperidin-1-yl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[3-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]methanone;N-methyl-N-[1-[1-[5-methyl-6-[3-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[5-methyl-6-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide (CID 159138704) is N-[1-[1-[6-[2-(3-chlorophenyl)piperidin-1-yl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[3-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]methanone;N-methyl-N-[1-[1-[5-methyl-6-[3-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[5-methyl-6-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide.

What is the SMILES notation for N-[1-[1-[6-[2-(3-chlorophenyl)piperidin-1-yl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[3-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]methanone;N-methyl-N-[1-[1-[5-methyl-6-[3-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[5-methyl-6-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide?

The canonical SMILES for N-[1-[1-[6-[2-(3-chlorophenyl)piperidin-1-yl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[3-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]methanone;N-methyl-N-[1-[1-[5-methyl-6-[3-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[5-methyl-6-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide is COC1COCCC1NC1CCN(C(=O)c2ncnc(N3CCCC(c4ccc(C(F)(F)F)cc4)C3)c2C)CC1.Cc1c(C(=O)N2CCC(N3CCC(N(C)S(C)(=O)=O)CC3)CC2)ncnc1N1CCCC(c2ccc(C(F)(F)F)cc2)C1.Cc1c(C(=O)N2CCC(N3CCC(N(C)S(C)(=O)=O)CC3)CC2)ncnc1N1CCCCC1c1cccc(Cl)c1.Cc1c(C(=O)N2CCC(N3CCC(NS(C)(=O)=O)CC3)CC2)ncnc1N1CCc2ccc(C(F)(F)F)cc2C1.

What is the InChIKey of N-[1-[1-[6-[2-(3-chlorophenyl)piperidin-1-yl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[3-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]methanone;N-methyl-N-[1-[1-[5-methyl-6-[3-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[5-methyl-6-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide?

The InChIKey is KHVBWSLRCNUIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41F3N6O3S.C29H41ClN6O3S.C29H38F3N5O3.C27H35F3N6O3S/c1-21-27(29(40)38-17-12-26(13-18-38)37-15-10-25(11-16-37)36(2)43(3,41)42)34-20-35-28(21)39-14-4-5-23(19-39)22-6-8-24(9-7-22)30(31,32)33;1-21-27(31-20-32-28(21)36-14-5-4-9-26(36)22-7-6-8-23(30)19-22)29(37)35-17-12-25(13-18-35)34-15-10-24(11-16-34)33(2)40(3,38)39;1-19-26(28(38)36-13-9-23(10-14-36)35-24-11-15-40-17-25(24)39-2)33-18-34-27(19)37-12-3-4-21(16-37)20-5-7-22(8-6-20)29(30,31)32;1-18-24(26(37)35-13-8-23(9-14-35)34-11-6-22(7-12-34)33-40(2,38)39)31-17-32-25(18)36-10-5-19-3-4-21(27(28,29)30)15-20(19)16-36/h6-9,20,23,25-26H,4-5,10-19H2,1-3H3;6-8,19-20,24-26H,4-5,9-18H2,1-3H3;5-8,18,21,23-25,35H,3-4,9-17H2,1-2H3;3-4,15,17,22-23,33H,5-14,16H2,1-2H3.

What are the key properties of N-[1-[1-[6-[2-(3-chlorophenyl)piperidin-1-yl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[3-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]methanone;N-methyl-N-[1-[1-[5-methyl-6-[3-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[5-methyl-6-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide?

N-[1-[1-[6-[2-(3-chlorophenyl)piperidin-1-yl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[3-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]methanone;N-methyl-N-[1-[1-[5-methyl-6-[3-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[5-methyl-6-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide has a molecular weight of 2354.29 g/mol, XLogP of 15.45, 23 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[1-[6-[2-(3-chlorophenyl)piperidin-1-yl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[3-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]methanone;N-methyl-N-[1-[1-[5-methyl-6-[3-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[5-methyl-6-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 159138704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).