[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]methanone;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-hydroxyazepan-1-yl)piperidin-1-yl]methanone;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(1,4-oxazepan-4-yl)piperidin-1-yl]methanone;[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidin-4-yl]-[4-[(3S,4R)-3,4-dihydroxypiperidin-1-yl]piperidin-1-yl]methanone;[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidin-4-yl]-[4-(3-hydroxypyrrolidin-1-yl)piperidin-1-yl]methanone;[5-methyl-6-[2-(3-phenylphenyl)ethyl]pyrimidin-4-yl]-[4-(1,4-oxazepan-4-yl)piperidin-1-yl]methanone

C152H188Cl10F2N24O12 — CID 160985179

About [6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]methanone;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-hydroxyazepan-1-yl)piperidin-1-yl]methanone;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(1,4-oxazepan-4-yl)piperidin-1-yl]methanone;[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidin-4-yl]-[4-[(3S,4R)-3,4-dihydroxypiperidin-1-yl]piperidin-1-yl]methanone;[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidin-4-yl]-[4-(3-hydroxypyrrolidin-1-yl)piperidin-1-yl]methanone;[5-methyl-6-[2-(3-phenylphenyl)ethyl]pyrimidin-4-yl]-[4-(1,4-oxazepan-4-yl)piperidin-1-yl]methanone

[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]methanone;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-hydroxyazepan-1-yl)piperidin-1-yl]methanone;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(1,4-oxazepan-4-yl)piperidin-1-yl]methanone;[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidin-4-yl]-[4-[(3S,4R)-3,4-dihydroxypiperidin-1-yl]piperidin-1-yl]methanone;[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidin-4-yl]-[4-(3-hydroxypyrrolidin-1-yl)piperidin-1-yl]methanone;[5-methyl-6-[2-(3-phenylphenyl)ethyl]pyrimidin-4-yl]-[4-(1,4-oxazepan-4-yl)piperidin-1-yl]methanone (PubChem CID 160985179) has the molecular formula C152H188Cl10F2N24O12 and a molecular weight of 2935.86 g/mol. Its IUPAC name is [6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]methanone;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-hydroxyazepan-1-yl)piperidin-1-yl]methanone;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(1,4-oxazepan-4-yl)piperidin-1-yl]methanone;[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidin-4-yl]-[4-[(3S,4R)-3,4-dihydroxypiperidin-1-yl]piperidin-1-yl]methanone;[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidin-4-yl]-[4-(3-hydroxypyrrolidin-1-yl)piperidin-1-yl]methanone;[5-methyl-6-[2-(3-phenylphenyl)ethyl]pyrimidin-4-yl]-[4-(1,4-oxazepan-4-yl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]methanone;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-hydroxyazepan-1-yl)piperidin-1-yl]methanone;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(1,4-oxazepan-4-yl)piperidin-1-yl]methanone;[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidin-4-yl]-[4-[(3S,4R)-3,4-dihydroxypiperidin-1-yl]piperidin-1-yl]methanone;[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidin-4-yl]-[4-(3-hydroxypyrrolidin-1-yl)piperidin-1-yl]methanone;[5-methyl-6-[2-(3-phenylphenyl)ethyl]pyrimidin-4-yl]-[4-(1,4-oxazepan-4-yl)piperidin-1-yl]methanone
• PubChem CID: 160985179
• Molecular Formula: C152H188Cl10F2N24O12
• Molecular Weight: 2935.86 g/mol
• Exact Mass: 2929.17
• IUPAC Name: [6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]methanone;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-hydroxyazepan-1-yl)piperidin-1-yl]methanone;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(1,4-oxazepan-4-yl)piperidin-1-yl]methanone;[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidin-4-yl]-[4-[(3S,4R)-3,4-dihydroxypiperidin-1-yl]piperidin-1-yl]methanone;[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidin-4-yl]-[4-(3-hydroxypyrrolidin-1-yl)piperidin-1-yl]methanone;[5-methyl-6-[2-(3-phenylphenyl)ethyl]pyrimidin-4-yl]-[4-(1,4-oxazepan-4-yl)piperidin-1-yl]methanone
• SMILES: Cc1c(CCCc2ccc(Cl)c(Cl)c2)ncnc1C(=O)N1CCC(N2CCC(O)C2)CC1.Cc1c(CCCc2ccc(Cl)c(Cl)c2)ncnc1C(=O)N1CCC(N2CC[C@@H](O)[C@@H](O)C2)CC1.Cc1c(CCc2ccc(Cl)c(Cl)c2)ncnc1C(=O)N1CCC(N2CCC(F)(F)CC2)CC1.Cc1c(CCc2ccc(Cl)c(Cl)c2)ncnc1C(=O)N1CCC(N2CCCC(O)CC2)CC1.Cc1c(CCc2ccc(Cl)c(Cl)c2)ncnc1C(=O)N1CCC(N2CCCOCC2)CC1.Cc1c(CCc2cccc(-c3ccccc3)c2)ncnc1C(=O)N1CCC(N2CCCOCC2)CC1
• InChI: InChI=1S/C30H36N4O2.C25H32Cl2N4O3.C25H32Cl2N4O2.C24H28Cl2F2N4O.2C24H30Cl2N4O2/c1-23-28(12-11-24-7-5-10-26(21-24)25-8-3-2-4-9-25)31-22-32-29(23)30(35)34-16-13-27(14-17-34)33-15-6-19-36-20-18-33;1-16-21(4-2-3-17-5-6-19(26)20(27)13-17)28-15-29-24(16)25(34)30-10-7-18(8-11-30)31-12-9-22(32)23(33)14-31;1-17-23(7-5-18-4-6-21(26)22(27)15-18)28-16-29-24(17)25(33)31-12-8-19(9-13-31)30-11-2-3-20(32)10-14-30;1-16-21(5-3-17-2-4-19(25)20(26)14-17)29-15-30-22(16)23(33)32-10-6-18(7-11-32)31-12-8-24(27,28)9-13-31;1-17-22(6-4-18-3-5-20(25)21(26)15-18)27-16-28-23(17)24(31)30-10-7-19(8-11-30)29-9-2-13-32-14-12-29;1-16-22(4-2-3-17-5-6-20(25)21(26)13-17)27-15-28-23(16)24(32)29-10-7-18(8-11-29)30-12-9-19(31)14-30/h2-5,7-10,21-22,27H,6,11-20H2,1H3;5-6,13,15,18,22-23,32-33H,2-4,7-12,14H2,1H3;4,6,15-16,19-20,32H,2-3,5,7-14H2,1H3;2,4,14-15,18H,3,5-13H2,1H3;3,5,15-16,19H,2,4,6-14H2,1H3;5-6,13,15,18-19,31H,2-4,7-12,14H2,1H3/t;22-,23+;;;;/m.1..../s1
• InChIKey: TTWJNFMYEGAABD-SJLAEHRKSA-N
• XLogP: 25.55
• TPSA: 395.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 33
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2935.86
LogP ≤ 5	25.55
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of [6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]methanone;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-hydroxyazepan-1-yl)piperidin-1-yl]methanone;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(1,4-oxazepan-4-yl)piperidin-1-yl]methanone;[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidin-4-yl]-[4-[(3S,4R)-3,4-dihydroxypiperidin-1-yl]piperidin-1-yl]methanone;[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidin-4-yl]-[4-(3-hydroxypyrrolidin-1-yl)piperidin-1-yl]methanone;[5-methyl-6-[2-(3-phenylphenyl)ethyl]pyrimidin-4-yl]-[4-(1,4-oxazepan-4-yl)piperidin-1-yl]methanone?

The IUPAC name of [6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]methanone;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-hydroxyazepan-1-yl)piperidin-1-yl]methanone;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(1,4-oxazepan-4-yl)piperidin-1-yl]methanone;[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidin-4-yl]-[4-[(3S,4R)-3,4-dihydroxypiperidin-1-yl]piperidin-1-yl]methanone;[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidin-4-yl]-[4-(3-hydroxypyrrolidin-1-yl)piperidin-1-yl]methanone;[5-methyl-6-[2-(3-phenylphenyl)ethyl]pyrimidin-4-yl]-[4-(1,4-oxazepan-4-yl)piperidin-1-yl]methanone (CID 160985179) is [6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]methanone;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-hydroxyazepan-1-yl)piperidin-1-yl]methanone;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(1,4-oxazepan-4-yl)piperidin-1-yl]methanone;[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidin-4-yl]-[4-[(3S,4R)-3,4-dihydroxypiperidin-1-yl]piperidin-1-yl]methanone;[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidin-4-yl]-[4-(3-hydroxypyrrolidin-1-yl)piperidin-1-yl]methanone;[5-methyl-6-[2-(3-phenylphenyl)ethyl]pyrimidin-4-yl]-[4-(1,4-oxazepan-4-yl)piperidin-1-yl]methanone.

What is the SMILES notation for [6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]methanone;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-hydroxyazepan-1-yl)piperidin-1-yl]methanone;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(1,4-oxazepan-4-yl)piperidin-1-yl]methanone;[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidin-4-yl]-[4-[(3S,4R)-3,4-dihydroxypiperidin-1-yl]piperidin-1-yl]methanone;[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidin-4-yl]-[4-(3-hydroxypyrrolidin-1-yl)piperidin-1-yl]methanone;[5-methyl-6-[2-(3-phenylphenyl)ethyl]pyrimidin-4-yl]-[4-(1,4-oxazepan-4-yl)piperidin-1-yl]methanone?

The canonical SMILES for [6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]methanone;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-hydroxyazepan-1-yl)piperidin-1-yl]methanone;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(1,4-oxazepan-4-yl)piperidin-1-yl]methanone;[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidin-4-yl]-[4-[(3S,4R)-3,4-dihydroxypiperidin-1-yl]piperidin-1-yl]methanone;[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidin-4-yl]-[4-(3-hydroxypyrrolidin-1-yl)piperidin-1-yl]methanone;[5-methyl-6-[2-(3-phenylphenyl)ethyl]pyrimidin-4-yl]-[4-(1,4-oxazepan-4-yl)piperidin-1-yl]methanone is Cc1c(CCCc2ccc(Cl)c(Cl)c2)ncnc1C(=O)N1CCC(N2CCC(O)C2)CC1.Cc1c(CCCc2ccc(Cl)c(Cl)c2)ncnc1C(=O)N1CCC(N2CC[C@@H](O)[C@@H](O)C2)CC1.Cc1c(CCc2ccc(Cl)c(Cl)c2)ncnc1C(=O)N1CCC(N2CCC(F)(F)CC2)CC1.Cc1c(CCc2ccc(Cl)c(Cl)c2)ncnc1C(=O)N1CCC(N2CCCC(O)CC2)CC1.Cc1c(CCc2ccc(Cl)c(Cl)c2)ncnc1C(=O)N1CCC(N2CCCOCC2)CC1.Cc1c(CCc2cccc(-c3ccccc3)c2)ncnc1C(=O)N1CCC(N2CCCOCC2)CC1.

What is the InChIKey of [6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]methanone;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-hydroxyazepan-1-yl)piperidin-1-yl]methanone;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(1,4-oxazepan-4-yl)piperidin-1-yl]methanone;[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidin-4-yl]-[4-[(3S,4R)-3,4-dihydroxypiperidin-1-yl]piperidin-1-yl]methanone;[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidin-4-yl]-[4-(3-hydroxypyrrolidin-1-yl)piperidin-1-yl]methanone;[5-methyl-6-[2-(3-phenylphenyl)ethyl]pyrimidin-4-yl]-[4-(1,4-oxazepan-4-yl)piperidin-1-yl]methanone?

The InChIKey is TTWJNFMYEGAABD-SJLAEHRKSA-N. The full InChI is InChI=1S/C30H36N4O2.C25H32Cl2N4O3.C25H32Cl2N4O2.C24H28Cl2F2N4O.2C24H30Cl2N4O2/c1-23-28(12-11-24-7-5-10-26(21-24)25-8-3-2-4-9-25)31-22-32-29(23)30(35)34-16-13-27(14-17-34)33-15-6-19-36-20-18-33;1-16-21(4-2-3-17-5-6-19(26)20(27)13-17)28-15-29-24(16)25(34)30-10-7-18(8-11-30)31-12-9-22(32)23(33)14-31;1-17-23(7-5-18-4-6-21(26)22(27)15-18)28-16-29-24(17)25(33)31-12-8-19(9-13-31)30-11-2-3-20(32)10-14-30;1-16-21(5-3-17-2-4-19(25)20(26)14-17)29-15-30-22(16)23(33)32-10-6-18(7-11-32)31-12-8-24(27,28)9-13-31;1-17-22(6-4-18-3-5-20(25)21(26)15-18)27-16-28-23(17)24(31)30-10-7-19(8-11-30)29-9-2-13-32-14-12-29;1-16-22(4-2-3-17-5-6-20(25)21(26)13-17)27-15-28-23(16)24(32)29-10-7-18(8-11-29)30-12-9-19(31)14-30/h2-5,7-10,21-22,27H,6,11-20H2,1H3;5-6,13,15,18,22-23,32-33H,2-4,7-12,14H2,1H3;4,6,15-16,19-20,32H,2-3,5,7-14H2,1H3;2,4,14-15,18H,3,5-13H2,1H3;3,5,15-16,19H,2,4,6-14H2,1H3;5-6,13,15,18-19,31H,2-4,7-12,14H2,1H3/t;22-,23+;;;;/m.1..../s1.

What are the key properties of [6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]methanone;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-hydroxyazepan-1-yl)piperidin-1-yl]methanone;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(1,4-oxazepan-4-yl)piperidin-1-yl]methanone;[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidin-4-yl]-[4-[(3S,4R)-3,4-dihydroxypiperidin-1-yl]piperidin-1-yl]methanone;[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidin-4-yl]-[4-(3-hydroxypyrrolidin-1-yl)piperidin-1-yl]methanone;[5-methyl-6-[2-(3-phenylphenyl)ethyl]pyrimidin-4-yl]-[4-(1,4-oxazepan-4-yl)piperidin-1-yl]methanone?

[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]methanone;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-hydroxyazepan-1-yl)piperidin-1-yl]methanone;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(1,4-oxazepan-4-yl)piperidin-1-yl]methanone;[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidin-4-yl]-[4-[(3S,4R)-3,4-dihydroxypiperidin-1-yl]piperidin-1-yl]methanone;[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidin-4-yl]-[4-(3-hydroxypyrrolidin-1-yl)piperidin-1-yl]methanone;[5-methyl-6-[2-(3-phenylphenyl)ethyl]pyrimidin-4-yl]-[4-(1,4-oxazepan-4-yl)piperidin-1-yl]methanone has a molecular weight of 2935.86 g/mol, XLogP of 25.55, 33 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]methanone;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-hydroxyazepan-1-yl)piperidin-1-yl]methanone;[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(1,4-oxazepan-4-yl)piperidin-1-yl]methanone;[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidin-4-yl]-[4-[(3S,4R)-3,4-dihydroxypiperidin-1-yl]piperidin-1-yl]methanone;[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidin-4-yl]-[4-(3-hydroxypyrrolidin-1-yl)piperidin-1-yl]methanone;[5-methyl-6-[2-(3-phenylphenyl)ethyl]pyrimidin-4-yl]-[4-(1,4-oxazepan-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 160985179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).