cyclobutane;N-[2-[3-[6-[[4-[2-(dimethylamino)ethoxy]piperidin-1-yl]methyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-2-yl]phenyl]ethyl]-N-methyl-N'-(methylideneamino)methanimidamide;2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-4-[4-(4-formylphenyl)piperidin-1-yl]benzaldehyde

C59H75F3N10O6 — CID 171511353

About cyclobutane;N-[2-[3-[6-[[4-[2-(dimethylamino)ethoxy]piperidin-1-yl]methyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-2-yl]phenyl]ethyl]-N-methyl-N'-(methylideneamino)methanimidamide;2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-4-[4-(4-formylphenyl)piperidin-1-yl]benzaldehyde

cyclobutane;N-[2-[3-[6-[[4-[2-(dimethylamino)ethoxy]piperidin-1-yl]methyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-2-yl]phenyl]ethyl]-N-methyl-N'-(methylideneamino)methanimidamide;2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-4-[4-(4-formylphenyl)piperidin-1-yl]benzaldehyde (PubChem CID 171511353) has the molecular formula C59H75F3N10O6 and a molecular weight of 1077.31 g/mol. Its IUPAC name is cyclobutane;N-[2-[3-[6-[[4-[2-(dimethylamino)ethoxy]piperidin-1-yl]methyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-2-yl]phenyl]ethyl]-N-methyl-N'-(methylideneamino)methanimidamide;2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-4-[4-(4-formylphenyl)piperidin-1-yl]benzaldehyde.

Molecular Properties

• Compound Name: cyclobutane;N-[2-[3-[6-[[4-[2-(dimethylamino)ethoxy]piperidin-1-yl]methyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-2-yl]phenyl]ethyl]-N-methyl-N'-(methylideneamino)methanimidamide;2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-4-[4-(4-formylphenyl)piperidin-1-yl]benzaldehyde
• PubChem CID: 171511353
• Molecular Formula: C59H75F3N10O6
• Molecular Weight: 1077.31 g/mol
• Exact Mass: 1076.58
• IUPAC Name: cyclobutane;N-[2-[3-[6-[[4-[2-(dimethylamino)ethoxy]piperidin-1-yl]methyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-2-yl]phenyl]ethyl]-N-methyl-N'-(methylideneamino)methanimidamide;2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-4-[4-(4-formylphenyl)piperidin-1-yl]benzaldehyde
• SMILES: C1CCC1.C=N/N=C\N(C)CCc1cccc(-n2cc3c(C(F)(F)F)cc(CN4CCC(OCCN(C)C)CC4)cn3c2=O)c1.CN(Cc1cc(N2CCC(c3ccc(C=O)cc3)CC2)ccc1C=O)C1CCC(=O)NC1=O
• InChI: InChI=1S/C29H38F3N7O2.C26H29N3O4.C4H8/c1-33-34-21-36(4)11-8-22-6-5-7-24(16-22)38-20-27-26(29(30,31)32)17-23(19-39(27)28(38)40)18-37-12-9-25(10-13-37)41-15-14-35(2)3;1-28(24-8-9-25(32)27-26(24)33)15-22-14-23(7-6-21(22)17-31)29-12-10-20(11-13-29)19-4-2-18(16-30)3-5-19;1-2-4-3-1/h5-7,16-17,19-21,25H,1,8-15,18H2,2-4H3;2-7,14,16-17,20,24H,8-13,15H2,1H3,(H,27,32,33);1-4H2/b34-21-
• InChIKey: KXPWCVHXNYUGFB-OTXCZNPISA-N
• XLogP: 8.26
• TPSA: 156.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 19
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1077.31
LogP ≤ 5	8.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyclobutane;N-[2-[3-[6-[[4-[2-(dimethylamino)ethoxy]piperidin-1-yl]methyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-2-yl]phenyl]ethyl]-N-methyl-N'-(methylideneamino)methanimidamide;2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-4-[4-(4-formylphenyl)piperidin-1-yl]benzaldehyde?

The IUPAC name of cyclobutane;N-[2-[3-[6-[[4-[2-(dimethylamino)ethoxy]piperidin-1-yl]methyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-2-yl]phenyl]ethyl]-N-methyl-N'-(methylideneamino)methanimidamide;2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-4-[4-(4-formylphenyl)piperidin-1-yl]benzaldehyde (CID 171511353) is cyclobutane;N-[2-[3-[6-[[4-[2-(dimethylamino)ethoxy]piperidin-1-yl]methyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-2-yl]phenyl]ethyl]-N-methyl-N'-(methylideneamino)methanimidamide;2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-4-[4-(4-formylphenyl)piperidin-1-yl]benzaldehyde.

What is the SMILES notation for cyclobutane;N-[2-[3-[6-[[4-[2-(dimethylamino)ethoxy]piperidin-1-yl]methyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-2-yl]phenyl]ethyl]-N-methyl-N'-(methylideneamino)methanimidamide;2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-4-[4-(4-formylphenyl)piperidin-1-yl]benzaldehyde?

The canonical SMILES for cyclobutane;N-[2-[3-[6-[[4-[2-(dimethylamino)ethoxy]piperidin-1-yl]methyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-2-yl]phenyl]ethyl]-N-methyl-N'-(methylideneamino)methanimidamide;2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-4-[4-(4-formylphenyl)piperidin-1-yl]benzaldehyde is C1CCC1.C=N/N=C\N(C)CCc1cccc(-n2cc3c(C(F)(F)F)cc(CN4CCC(OCCN(C)C)CC4)cn3c2=O)c1.CN(Cc1cc(N2CCC(c3ccc(C=O)cc3)CC2)ccc1C=O)C1CCC(=O)NC1=O.

What is the InChIKey of cyclobutane;N-[2-[3-[6-[[4-[2-(dimethylamino)ethoxy]piperidin-1-yl]methyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-2-yl]phenyl]ethyl]-N-methyl-N'-(methylideneamino)methanimidamide;2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-4-[4-(4-formylphenyl)piperidin-1-yl]benzaldehyde?

The InChIKey is KXPWCVHXNYUGFB-OTXCZNPISA-N. The full InChI is InChI=1S/C29H38F3N7O2.C26H29N3O4.C4H8/c1-33-34-21-36(4)11-8-22-6-5-7-24(16-22)38-20-27-26(29(30,31)32)17-23(19-39(27)28(38)40)18-37-12-9-25(10-13-37)41-15-14-35(2)3;1-28(24-8-9-25(32)27-26(24)33)15-22-14-23(7-6-21(22)17-31)29-12-10-20(11-13-29)19-4-2-18(16-30)3-5-19;1-2-4-3-1/h5-7,16-17,19-21,25H,1,8-15,18H2,2-4H3;2-7,14,16-17,20,24H,8-13,15H2,1H3,(H,27,32,33);1-4H2/b34-21-;;.

What are the key properties of cyclobutane;N-[2-[3-[6-[[4-[2-(dimethylamino)ethoxy]piperidin-1-yl]methyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-2-yl]phenyl]ethyl]-N-methyl-N'-(methylideneamino)methanimidamide;2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-4-[4-(4-formylphenyl)piperidin-1-yl]benzaldehyde?

cyclobutane;N-[2-[3-[6-[[4-[2-(dimethylamino)ethoxy]piperidin-1-yl]methyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-2-yl]phenyl]ethyl]-N-methyl-N'-(methylideneamino)methanimidamide;2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-4-[4-(4-formylphenyl)piperidin-1-yl]benzaldehyde has a molecular weight of 1077.31 g/mol, XLogP of 8.26, 19 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for cyclobutane;N-[2-[3-[6-[[4-[2-(dimethylamino)ethoxy]piperidin-1-yl]methyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-2-yl]phenyl]ethyl]-N-methyl-N'-(methylideneamino)methanimidamide;2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-4-[4-(4-formylphenyl)piperidin-1-yl]benzaldehyde is sourced from PubChem (CID 171511353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).