tert-butyl 4-[[4-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]methylamino]piperidine-1-carboxylate;5-[[(1-chloropiperidin-4-yl)amino]methyl]-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

C43H57ClN10O10 — CID 158385791

About tert-butyl 4-[[4-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]methylamino]piperidine-1-carboxylate;5-[[(1-chloropiperidin-4-yl)amino]methyl]-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

tert-butyl 4-[[4-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]methylamino]piperidine-1-carboxylate;5-[[(1-chloropiperidin-4-yl)amino]methyl]-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 158385791) has the molecular formula C43H57ClN10O10 and a molecular weight of 909.44 g/mol. Its IUPAC name is tert-butyl 4-[[4-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]methylamino]piperidine-1-carboxylate;5-[[(1-chloropiperidin-4-yl)amino]methyl]-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: tert-butyl 4-[[4-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]methylamino]piperidine-1-carboxylate;5-[[(1-chloropiperidin-4-yl)amino]methyl]-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
• PubChem CID: 158385791
• Molecular Formula: C43H57ClN10O10
• Molecular Weight: 909.44 g/mol
• Exact Mass: 908.39
• IUPAC Name: tert-butyl 4-[[4-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]methylamino]piperidine-1-carboxylate;5-[[(1-chloropiperidin-4-yl)amino]methyl]-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)CN(CC1(CNC3CCN(C(=O)OC(C)(C)C)CC3)NC(=O)NC1=O)C2=O.COc1ccc2c(c1)CN(CC1(CNC3CCN(Cl)CC3)NC(=O)NC1=O)C2=O
• InChI: InChI=1S/C24H33N5O6.C19H24ClN5O4/c1-23(2,3)35-22(33)28-9-7-16(8-10-28)25-13-24(20(31)26-21(32)27-24)14-29-12-15-11-17(34-4)5-6-18(15)19(29)30;1-29-14-2-3-15-12(8-14)9-24(16(15)26)11-19(17(27)22-18(28)23-19)10-21-13-4-6-25(20)7-5-13/h5-6,11,16,25H,7-10,12-14H2,1-4H3,(H2,26,27,31,32);2-3,8,13,21H,4-7,9-11H2,1H3,(H2,22,23,27,28)
• InChIKey: GWIWLQLVMYZADG-UHFFFAOYSA-N
• XLogP: 1.66
• TPSA: 232.32 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	909.44
LogP ≤ 5	1.66
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[4-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]methylamino]piperidine-1-carboxylate;5-[[(1-chloropiperidin-4-yl)amino]methyl]-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

The IUPAC name of tert-butyl 4-[[4-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]methylamino]piperidine-1-carboxylate;5-[[(1-chloropiperidin-4-yl)amino]methyl]-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 158385791) is tert-butyl 4-[[4-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]methylamino]piperidine-1-carboxylate;5-[[(1-chloropiperidin-4-yl)amino]methyl]-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

What is the SMILES notation for tert-butyl 4-[[4-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]methylamino]piperidine-1-carboxylate;5-[[(1-chloropiperidin-4-yl)amino]methyl]-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

The canonical SMILES for tert-butyl 4-[[4-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]methylamino]piperidine-1-carboxylate;5-[[(1-chloropiperidin-4-yl)amino]methyl]-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is COc1ccc2c(c1)CN(CC1(CNC3CCN(C(=O)OC(C)(C)C)CC3)NC(=O)NC1=O)C2=O.COc1ccc2c(c1)CN(CC1(CNC3CCN(Cl)CC3)NC(=O)NC1=O)C2=O.

What is the InChIKey of tert-butyl 4-[[4-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]methylamino]piperidine-1-carboxylate;5-[[(1-chloropiperidin-4-yl)amino]methyl]-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

The InChIKey is GWIWLQLVMYZADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O6.C19H24ClN5O4/c1-23(2,3)35-22(33)28-9-7-16(8-10-28)25-13-24(20(31)26-21(32)27-24)14-29-12-15-11-17(34-4)5-6-18(15)19(29)30;1-29-14-2-3-15-12(8-14)9-24(16(15)26)11-19(17(27)22-18(28)23-19)10-21-13-4-6-25(20)7-5-13/h5-6,11,16,25H,7-10,12-14H2,1-4H3,(H2,26,27,31,32);2-3,8,13,21H,4-7,9-11H2,1H3,(H2,22,23,27,28).

What are the key properties of tert-butyl 4-[[4-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]methylamino]piperidine-1-carboxylate;5-[[(1-chloropiperidin-4-yl)amino]methyl]-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

tert-butyl 4-[[4-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]methylamino]piperidine-1-carboxylate;5-[[(1-chloropiperidin-4-yl)amino]methyl]-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 909.44 g/mol, XLogP of 1.66, 12 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[[4-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]methylamino]piperidine-1-carboxylate;5-[[(1-chloropiperidin-4-yl)amino]methyl]-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 158385791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).