(4S)-4-[7-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-4-methylcyclohexane-1,3-dione;4-[7-[[4-[(4-ethyl-3-oxopiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;(4S)-4-methyl-4-[3-oxo-7-[[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[[4-(4-methylphenyl)piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(4-pyridin-3-ylpiperidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione

C153H167F3N12O21 — CID 161151006

About (4S)-4-[7-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-4-methylcyclohexane-1,3-dione;4-[7-[[4-[(4-ethyl-3-oxopiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;(4S)-4-methyl-4-[3-oxo-7-[[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[[4-(4-methylphenyl)piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(4-pyridin-3-ylpiperidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione

(4S)-4-[7-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-4-methylcyclohexane-1,3-dione;4-[7-[[4-[(4-ethyl-3-oxopiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;(4S)-4-methyl-4-[3-oxo-7-[[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[[4-(4-methylphenyl)piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(4-pyridin-3-ylpiperidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione (PubChem CID 161151006) has the molecular formula C153H167F3N12O21 and a molecular weight of 2567.08 g/mol. Its IUPAC name is (4S)-4-[7-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-4-methylcyclohexane-1,3-dione;4-[7-[[4-[(4-ethyl-3-oxopiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;(4S)-4-methyl-4-[3-oxo-7-[[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[[4-(4-methylphenyl)piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(4-pyridin-3-ylpiperidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione.

Molecular Properties

• Compound Name: (4S)-4-[7-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-4-methylcyclohexane-1,3-dione;4-[7-[[4-[(4-ethyl-3-oxopiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;(4S)-4-methyl-4-[3-oxo-7-[[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[[4-(4-methylphenyl)piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(4-pyridin-3-ylpiperidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione
• PubChem CID: 161151006
• Molecular Formula: C153H167F3N12O21
• Molecular Weight: 2567.08 g/mol
• Exact Mass: 2565.23
• IUPAC Name: (4S)-4-[7-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-4-methylcyclohexane-1,3-dione;4-[7-[[4-[(4-ethyl-3-oxopiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;(4S)-4-methyl-4-[3-oxo-7-[[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[[4-(4-methylphenyl)piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(4-pyridin-3-ylpiperidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione
• SMILES: CC1(C)CCN(Cc2ccc(COc3cccc4c3CN([C@@]3(C)CCC(=O)CC3=O)C4=O)cc2)CC1.CCN1CCN(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)CC3=O)C4=O)cc2)CC1=O.C[C@]1(N2Cc3c(OCc4ccc(CN5CCC(C(F)(F)F)CC5)cc4)cccc3C2=O)CCC(=O)CC1=O.Cc1ccc(C2CCN(Cc3ccc(COc4cccc5c4CN(C4CCC(=O)CC4=O)C5=O)cc3)CC2)cc1.O=C1CCC(N2Cc3c(OCc4ccc(CN5CCC(c6cccnc6)CC5)cc4)cccc3C2=O)C(=O)C1
• InChI: InChI=1S/C34H36N2O4.C32H33N3O4.C30H36N2O4.C29H31F3N2O4.C28H31N3O5/c1-23-5-11-26(12-6-23)27-15-17-35(18-16-27)20-24-7-9-25(10-8-24)22-40-33-4-2-3-29-30(33)21-36(34(29)39)31-14-13-28(37)19-32(31)38;36-26-10-11-29(30(37)17-26)35-20-28-27(32(35)38)4-1-5-31(28)39-21-23-8-6-22(7-9-23)19-34-15-12-24(13-16-34)25-3-2-14-33-18-25;1-29(2)13-15-31(16-14-29)18-21-7-9-22(10-8-21)20-36-26-6-4-5-24-25(26)19-32(28(24)35)30(3)12-11-23(33)17-27(30)34;1-28(12-9-22(35)15-26(28)36)34-17-24-23(27(34)37)3-2-4-25(24)38-18-20-7-5-19(6-8-20)16-33-13-10-21(11-14-33)29(30,31)32;1-2-30-13-12-29(17-27(30)34)15-19-6-8-20(9-7-19)18-36-26-5-3-4-22-23(26)16-31(28(22)35)24-11-10-21(32)14-25(24)33/h2-12,27,31H,13-22H2,1H3;1-9,14,18,24,29H,10-13,15-17,19-21H2;4-10H,11-20H2,1-3H3;2-8,21H,9-18H2,1H3;3-9,24H,2,10-18H2,1H3/t;;30-;28-;/m..00./s1
• InChIKey: UORFTYPCRWOQCM-HHNKUQINSA-N
• XLogP: 22.86
• TPSA: 367.80 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 33
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2567.08
LogP ≤ 5	22.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[7-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-4-methylcyclohexane-1,3-dione;4-[7-[[4-[(4-ethyl-3-oxopiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;(4S)-4-methyl-4-[3-oxo-7-[[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[[4-(4-methylphenyl)piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(4-pyridin-3-ylpiperidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione?

The IUPAC name of (4S)-4-[7-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-4-methylcyclohexane-1,3-dione;4-[7-[[4-[(4-ethyl-3-oxopiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;(4S)-4-methyl-4-[3-oxo-7-[[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[[4-(4-methylphenyl)piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(4-pyridin-3-ylpiperidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione (CID 161151006) is (4S)-4-[7-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-4-methylcyclohexane-1,3-dione;4-[7-[[4-[(4-ethyl-3-oxopiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;(4S)-4-methyl-4-[3-oxo-7-[[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[[4-(4-methylphenyl)piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(4-pyridin-3-ylpiperidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione.

What is the SMILES notation for (4S)-4-[7-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-4-methylcyclohexane-1,3-dione;4-[7-[[4-[(4-ethyl-3-oxopiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;(4S)-4-methyl-4-[3-oxo-7-[[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[[4-(4-methylphenyl)piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(4-pyridin-3-ylpiperidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione?

The canonical SMILES for (4S)-4-[7-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-4-methylcyclohexane-1,3-dione;4-[7-[[4-[(4-ethyl-3-oxopiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;(4S)-4-methyl-4-[3-oxo-7-[[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[[4-(4-methylphenyl)piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(4-pyridin-3-ylpiperidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione is CC1(C)CCN(Cc2ccc(COc3cccc4c3CN([C@@]3(C)CCC(=O)CC3=O)C4=O)cc2)CC1.CCN1CCN(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)CC3=O)C4=O)cc2)CC1=O.C[C@]1(N2Cc3c(OCc4ccc(CN5CCC(C(F)(F)F)CC5)cc4)cccc3C2=O)CCC(=O)CC1=O.Cc1ccc(C2CCN(Cc3ccc(COc4cccc5c4CN(C4CCC(=O)CC4=O)C5=O)cc3)CC2)cc1.O=C1CCC(N2Cc3c(OCc4ccc(CN5CCC(c6cccnc6)CC5)cc4)cccc3C2=O)C(=O)C1.

What is the InChIKey of (4S)-4-[7-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-4-methylcyclohexane-1,3-dione;4-[7-[[4-[(4-ethyl-3-oxopiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;(4S)-4-methyl-4-[3-oxo-7-[[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[[4-(4-methylphenyl)piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(4-pyridin-3-ylpiperidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione?

The InChIKey is UORFTYPCRWOQCM-HHNKUQINSA-N. The full InChI is InChI=1S/C34H36N2O4.C32H33N3O4.C30H36N2O4.C29H31F3N2O4.C28H31N3O5/c1-23-5-11-26(12-6-23)27-15-17-35(18-16-27)20-24-7-9-25(10-8-24)22-40-33-4-2-3-29-30(33)21-36(34(29)39)31-14-13-28(37)19-32(31)38;36-26-10-11-29(30(37)17-26)35-20-28-27(32(35)38)4-1-5-31(28)39-21-23-8-6-22(7-9-23)19-34-15-12-24(13-16-34)25-3-2-14-33-18-25;1-29(2)13-15-31(16-14-29)18-21-7-9-22(10-8-21)20-36-26-6-4-5-24-25(26)19-32(28(24)35)30(3)12-11-23(33)17-27(30)34;1-28(12-9-22(35)15-26(28)36)34-17-24-23(27(34)37)3-2-4-25(24)38-18-20-7-5-19(6-8-20)16-33-13-10-21(11-14-33)29(30,31)32;1-2-30-13-12-29(17-27(30)34)15-19-6-8-20(9-7-19)18-36-26-5-3-4-22-23(26)16-31(28(22)35)24-11-10-21(32)14-25(24)33/h2-12,27,31H,13-22H2,1H3;1-9,14,18,24,29H,10-13,15-17,19-21H2;4-10H,11-20H2,1-3H3;2-8,21H,9-18H2,1H3;3-9,24H,2,10-18H2,1H3/t;;30-;28-;/m..00./s1.

What are the key properties of (4S)-4-[7-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-4-methylcyclohexane-1,3-dione;4-[7-[[4-[(4-ethyl-3-oxopiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;(4S)-4-methyl-4-[3-oxo-7-[[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[[4-(4-methylphenyl)piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(4-pyridin-3-ylpiperidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione?

(4S)-4-[7-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-4-methylcyclohexane-1,3-dione;4-[7-[[4-[(4-ethyl-3-oxopiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;(4S)-4-methyl-4-[3-oxo-7-[[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[[4-(4-methylphenyl)piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(4-pyridin-3-ylpiperidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione has a molecular weight of 2567.08 g/mol, XLogP of 22.86, 33 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-[7-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-4-methylcyclohexane-1,3-dione;4-[7-[[4-[(4-ethyl-3-oxopiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;(4S)-4-methyl-4-[3-oxo-7-[[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[[4-(4-methylphenyl)piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(4-pyridin-3-ylpiperidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione is sourced from PubChem (CID 161151006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).