actinium;[4-[4-(N-benzyl-4-chloroanilino)piperidin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone;2-[4-[benzyl-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]amino]phenyl]ethylazanide;[4-[4-(N-benzyl-4-propylanilino)piperidin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone;[4-[4-[benzyl-[6-(trifluoromethyl)-3-pyridinyl]amino]piperidin-1-yl]-4-methylpiperidin-1-yl]-[2,6-dimethyl-4-(1-oxidopyridin-1-ium-4-yl)phenyl]methanone;[4-[4-[benzyl-[6-(trifluoromethyl)-3-pyridinyl]amino]piperidin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone

C167H205AcClF6N27O6- — CID 159201629

About actinium;[4-[4-(N-benzyl-4-chloroanilino)piperidin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone;2-[4-[benzyl-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]amino]phenyl]ethylazanide;[4-[4-(N-benzyl-4-propylanilino)piperidin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone;[4-[4-[benzyl-[6-(trifluoromethyl)-3-pyridinyl]amino]piperidin-1-yl]-4-methylpiperidin-1-yl]-[2,6-dimethyl-4-(1-oxidopyridin-1-ium-4-yl)phenyl]methanone;[4-[4-[benzyl-[6-(trifluoromethyl)-3-pyridinyl]amino]piperidin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone

actinium;[4-[4-(N-benzyl-4-chloroanilino)piperidin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone;2-[4-[benzyl-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]amino]phenyl]ethylazanide;[4-[4-(N-benzyl-4-propylanilino)piperidin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone;[4-[4-[benzyl-[6-(trifluoromethyl)-3-pyridinyl]amino]piperidin-1-yl]-4-methylpiperidin-1-yl]-[2,6-dimethyl-4-(1-oxidopyridin-1-ium-4-yl)phenyl]methanone;[4-[4-[benzyl-[6-(trifluoromethyl)-3-pyridinyl]amino]piperidin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone (PubChem CID 159201629) has the molecular formula C167H205AcClF6N27O6- and a molecular weight of 3063.10 g/mol. Its IUPAC name is actinium;[4-[4-(N-benzyl-4-chloroanilino)piperidin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone;2-[4-[benzyl-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]amino]phenyl]ethylazanide;[4-[4-(N-benzyl-4-propylanilino)piperidin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone;[4-[4-[benzyl-[6-(trifluoromethyl)-3-pyridinyl]amino]piperidin-1-yl]-4-methylpiperidin-1-yl]-[2,6-dimethyl-4-(1-oxidopyridin-1-ium-4-yl)phenyl]methanone;[4-[4-[benzyl-[6-(trifluoromethyl)-3-pyridinyl]amino]piperidin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone.

Molecular Properties

• Compound Name: actinium;[4-[4-(N-benzyl-4-chloroanilino)piperidin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone;2-[4-[benzyl-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]amino]phenyl]ethylazanide;[4-[4-(N-benzyl-4-propylanilino)piperidin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone;[4-[4-[benzyl-[6-(trifluoromethyl)-3-pyridinyl]amino]piperidin-1-yl]-4-methylpiperidin-1-yl]-[2,6-dimethyl-4-(1-oxidopyridin-1-ium-4-yl)phenyl]methanone;[4-[4-[benzyl-[6-(trifluoromethyl)-3-pyridinyl]amino]piperidin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone
• PubChem CID: 159201629
• Molecular Formula: C167H205AcClF6N27O6-
• Molecular Weight: 3063.10 g/mol
• Exact Mass: 3060.64
• IUPAC Name: actinium;[4-[4-(N-benzyl-4-chloroanilino)piperidin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone;2-[4-[benzyl-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]amino]phenyl]ethylazanide;[4-[4-(N-benzyl-4-propylanilino)piperidin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone;[4-[4-[benzyl-[6-(trifluoromethyl)-3-pyridinyl]amino]piperidin-1-yl]-4-methylpiperidin-1-yl]-[2,6-dimethyl-4-(1-oxidopyridin-1-ium-4-yl)phenyl]methanone;[4-[4-[benzyl-[6-(trifluoromethyl)-3-pyridinyl]amino]piperidin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone
• SMILES: CCCc1ccc(N(Cc2ccccc2)C2CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)cc1.Cc1cc(-c2cc[n+]([O-])cc2)cc(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3)c3ccc(C(F)(F)F)nc3)CC2)CC1.Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3)c3ccc(C(F)(F)F)nc3)CC2)CC1.Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3)c3ccc(CC[NH-])cc3)CC2)CC1.Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3)c3ccc(Cl)cc3)CC2)CC1.[Ac]
• InChI: InChI=1S/C38H42F3N5O2.C34H45N5O.C33H43N6O.C31H38ClN5O.C31H37F3N6O.Ac/c1-27-23-31(30-11-19-45(48)20-12-30)24-28(2)35(27)36(47)43-21-15-37(3,16-22-43)44-17-13-32(14-18-44)46(26-29-7-5-4-6-8-29)33-9-10-34(42-25-33)38(39,40)41;1-5-9-28-12-14-30(15-13-28)39(24-29-10-7-6-8-11-29)31-16-20-38(21-17-31)34(4)18-22-37(23-19-34)33(40)32-26(2)35-25-36-27(32)3;1-25-31(26(2)36-24-35-25)32(40)37-21-16-33(3,17-22-37)38-19-14-30(15-20-38)39(23-28-7-5-4-6-8-28)29-11-9-27(10-12-29)13-18-34;1-23-29(24(2)34-22-33-23)30(38)35-19-15-31(3,16-20-35)36-17-13-28(14-18-36)37(21-25-7-5-4-6-8-25)27-11-9-26(32)10-12-27;1-22-28(23(2)37-21-36-22)29(41)38-17-13-30(3,14-18-38)39-15-11-25(12-16-39)40(20-24-7-5-4-6-8-24)26-9-10-27(35-19-26)31(32,33)34;/h4-12,19-20,23-25,32H,13-18,21-22,26H2,1-3H3;6-8,10-15,25,31H,5,9,16-24H2,1-4H3;4-12,24,30,34H,13-23H2,1-3H3;4-12,22,28H,13-21H2,1-3H3;4-10,19,21,25H,11-18,20H2,1-3H3;/q;;-1
• InChIKey: UQKIJFOVTVOUAP-UHFFFAOYSA-N
• XLogP: 30.84
• TPSA: 313.59 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 35
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3063.10
LogP ≤ 5	30.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of actinium;[4-[4-(N-benzyl-4-chloroanilino)piperidin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone;2-[4-[benzyl-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]amino]phenyl]ethylazanide;[4-[4-(N-benzyl-4-propylanilino)piperidin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone;[4-[4-[benzyl-[6-(trifluoromethyl)-3-pyridinyl]amino]piperidin-1-yl]-4-methylpiperidin-1-yl]-[2,6-dimethyl-4-(1-oxidopyridin-1-ium-4-yl)phenyl]methanone;[4-[4-[benzyl-[6-(trifluoromethyl)-3-pyridinyl]amino]piperidin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone?

The IUPAC name of actinium;[4-[4-(N-benzyl-4-chloroanilino)piperidin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone;2-[4-[benzyl-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]amino]phenyl]ethylazanide;[4-[4-(N-benzyl-4-propylanilino)piperidin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone;[4-[4-[benzyl-[6-(trifluoromethyl)-3-pyridinyl]amino]piperidin-1-yl]-4-methylpiperidin-1-yl]-[2,6-dimethyl-4-(1-oxidopyridin-1-ium-4-yl)phenyl]methanone;[4-[4-[benzyl-[6-(trifluoromethyl)-3-pyridinyl]amino]piperidin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone (CID 159201629) is actinium;[4-[4-(N-benzyl-4-chloroanilino)piperidin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone;2-[4-[benzyl-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]amino]phenyl]ethylazanide;[4-[4-(N-benzyl-4-propylanilino)piperidin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone;[4-[4-[benzyl-[6-(trifluoromethyl)-3-pyridinyl]amino]piperidin-1-yl]-4-methylpiperidin-1-yl]-[2,6-dimethyl-4-(1-oxidopyridin-1-ium-4-yl)phenyl]methanone;[4-[4-[benzyl-[6-(trifluoromethyl)-3-pyridinyl]amino]piperidin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone.

What is the SMILES notation for actinium;[4-[4-(N-benzyl-4-chloroanilino)piperidin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone;2-[4-[benzyl-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]amino]phenyl]ethylazanide;[4-[4-(N-benzyl-4-propylanilino)piperidin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone;[4-[4-[benzyl-[6-(trifluoromethyl)-3-pyridinyl]amino]piperidin-1-yl]-4-methylpiperidin-1-yl]-[2,6-dimethyl-4-(1-oxidopyridin-1-ium-4-yl)phenyl]methanone;[4-[4-[benzyl-[6-(trifluoromethyl)-3-pyridinyl]amino]piperidin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone?

The canonical SMILES for actinium;[4-[4-(N-benzyl-4-chloroanilino)piperidin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone;2-[4-[benzyl-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]amino]phenyl]ethylazanide;[4-[4-(N-benzyl-4-propylanilino)piperidin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone;[4-[4-[benzyl-[6-(trifluoromethyl)-3-pyridinyl]amino]piperidin-1-yl]-4-methylpiperidin-1-yl]-[2,6-dimethyl-4-(1-oxidopyridin-1-ium-4-yl)phenyl]methanone;[4-[4-[benzyl-[6-(trifluoromethyl)-3-pyridinyl]amino]piperidin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone is CCCc1ccc(N(Cc2ccccc2)C2CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)CC2)cc1.Cc1cc(-c2cc[n+]([O-])cc2)cc(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3)c3ccc(C(F)(F)F)nc3)CC2)CC1.Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3)c3ccc(C(F)(F)F)nc3)CC2)CC1.Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3)c3ccc(CC[NH-])cc3)CC2)CC1.Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3)c3ccc(Cl)cc3)CC2)CC1.[Ac].

What is the InChIKey of actinium;[4-[4-(N-benzyl-4-chloroanilino)piperidin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone;2-[4-[benzyl-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]amino]phenyl]ethylazanide;[4-[4-(N-benzyl-4-propylanilino)piperidin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone;[4-[4-[benzyl-[6-(trifluoromethyl)-3-pyridinyl]amino]piperidin-1-yl]-4-methylpiperidin-1-yl]-[2,6-dimethyl-4-(1-oxidopyridin-1-ium-4-yl)phenyl]methanone;[4-[4-[benzyl-[6-(trifluoromethyl)-3-pyridinyl]amino]piperidin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone?

The InChIKey is UQKIJFOVTVOUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H42F3N5O2.C34H45N5O.C33H43N6O.C31H38ClN5O.C31H37F3N6O.Ac/c1-27-23-31(30-11-19-45(48)20-12-30)24-28(2)35(27)36(47)43-21-15-37(3,16-22-43)44-17-13-32(14-18-44)46(26-29-7-5-4-6-8-29)33-9-10-34(42-25-33)38(39,40)41;1-5-9-28-12-14-30(15-13-28)39(24-29-10-7-6-8-11-29)31-16-20-38(21-17-31)34(4)18-22-37(23-19-34)33(40)32-26(2)35-25-36-27(32)3;1-25-31(26(2)36-24-35-25)32(40)37-21-16-33(3,17-22-37)38-19-14-30(15-20-38)39(23-28-7-5-4-6-8-28)29-11-9-27(10-12-29)13-18-34;1-23-29(24(2)34-22-33-23)30(38)35-19-15-31(3,16-20-35)36-17-13-28(14-18-36)37(21-25-7-5-4-6-8-25)27-11-9-26(32)10-12-27;1-22-28(23(2)37-21-36-22)29(41)38-17-13-30(3,14-18-38)39-15-11-25(12-16-39)40(20-24-7-5-4-6-8-24)26-9-10-27(35-19-26)31(32,33)34;/h4-12,19-20,23-25,32H,13-18,21-22,26H2,1-3H3;6-8,10-15,25,31H,5,9,16-24H2,1-4H3;4-12,24,30,34H,13-23H2,1-3H3;4-12,22,28H,13-21H2,1-3H3;4-10,19,21,25H,11-18,20H2,1-3H3;/q;;-1;;;.

What are the key properties of actinium;[4-[4-(N-benzyl-4-chloroanilino)piperidin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone;2-[4-[benzyl-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]amino]phenyl]ethylazanide;[4-[4-(N-benzyl-4-propylanilino)piperidin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone;[4-[4-[benzyl-[6-(trifluoromethyl)-3-pyridinyl]amino]piperidin-1-yl]-4-methylpiperidin-1-yl]-[2,6-dimethyl-4-(1-oxidopyridin-1-ium-4-yl)phenyl]methanone;[4-[4-[benzyl-[6-(trifluoromethyl)-3-pyridinyl]amino]piperidin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone?

actinium;[4-[4-(N-benzyl-4-chloroanilino)piperidin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone;2-[4-[benzyl-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]amino]phenyl]ethylazanide;[4-[4-(N-benzyl-4-propylanilino)piperidin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone;[4-[4-[benzyl-[6-(trifluoromethyl)-3-pyridinyl]amino]piperidin-1-yl]-4-methylpiperidin-1-yl]-[2,6-dimethyl-4-(1-oxidopyridin-1-ium-4-yl)phenyl]methanone;[4-[4-[benzyl-[6-(trifluoromethyl)-3-pyridinyl]amino]piperidin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone has a molecular weight of 3063.10 g/mol, XLogP of 30.84, 35 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for actinium;[4-[4-(N-benzyl-4-chloroanilino)piperidin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone;2-[4-[benzyl-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]amino]phenyl]ethylazanide;[4-[4-(N-benzyl-4-propylanilino)piperidin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone;[4-[4-[benzyl-[6-(trifluoromethyl)-3-pyridinyl]amino]piperidin-1-yl]-4-methylpiperidin-1-yl]-[2,6-dimethyl-4-(1-oxidopyridin-1-ium-4-yl)phenyl]methanone;[4-[4-[benzyl-[6-(trifluoromethyl)-3-pyridinyl]amino]piperidin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone is sourced from PubChem (CID 159201629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).