4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-[1-[[2-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-6-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-methylpiperidine-1-carboxamide

C41H46F3N7O6 — CID 164719759

IUPAC4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-[1-[[2-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-6-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-methylpiperidine-1-carboxamide
SMILESCOc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC(F)(F)F)c1CN1CCC(N(C)C(=O)N2CCC(c3ccc(NC4CCC(=O)NC4=O)cc3)CC2)CC1
InChIInChI=1S/C41H46F3N7O6/c1-48-23-32(30-10-15-45-22-31(30)39(48)54)27-20-35(56-3)33(36(21-27)57-41(42,43)44)24-50-16-13-29(14-17-50)49(2)40(55)51-18-11-26(12-19-51)25-4-6-28(7-5-25)46-34-8-9-37(52)47-38(34)53/h4-7,10,15,20-23,26,29,34,46H,8-9,11-14,16-19,24H2,1-3H3,(H,47,52,53)
InChIKeyNNOIDFOMNMHYSK-UHFFFAOYSA-N
MW789.86 g/mol
LogP5.62
Rot. Bonds9

About 4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-[1-[[2-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-6-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-methylpiperidine-1-carboxamide

4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-[1-[[2-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-6-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-methylpiperidine-1-carboxamide (PubChem CID 164719759) has the molecular formula C41H46F3N7O6 and a molecular weight of 789.86 g/mol. Its IUPAC name is 4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-[1-[[2-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-6-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-[1-[[2-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-6-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-methylpiperidine-1-carboxamide
PubChem CID164719759
Molecular FormulaC41H46F3N7O6
Molecular Weight789.86 g/mol
Exact Mass789.35
IUPAC Name4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-[1-[[2-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-6-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-methylpiperidine-1-carboxamide
SMILESCOc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC(F)(F)F)c1CN1CCC(N(C)C(=O)N2CCC(c3ccc(NC4CCC(=O)NC4=O)cc3)CC2)CC1
InChIInChI=1S/C41H46F3N7O6/c1-48-23-32(30-10-15-45-22-31(30)39(48)54)27-20-35(56-3)33(36(21-27)57-41(42,43)44)24-50-16-13-29(14-17-50)49(2)40(55)51-18-11-26(12-19-51)25-4-6-28(7-5-25)46-34-8-9-37(52)47-38(34)53/h4-7,10,15,20-23,26,29,34,46H,8-9,11-14,16-19,24H2,1-3H3,(H,47,52,53)
InChIKeyNNOIDFOMNMHYSK-UHFFFAOYSA-N
XLogP5.62
TPSA138.34 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.86
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-[1-[[2-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-6-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-methylpiperidine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-[1-[[2-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-6-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-methylpiperidine-1-carboxamide?
The IUPAC name of 4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-[1-[[2-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-6-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-methylpiperidine-1-carboxamide (CID 164719759) is 4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-[1-[[2-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-6-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-[1-[[2-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-6-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-[1-[[2-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-6-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-methylpiperidine-1-carboxamide is COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC(F)(F)F)c1CN1CCC(N(C)C(=O)N2CCC(c3ccc(NC4CCC(=O)NC4=O)cc3)CC2)CC1.
What is the InChIKey of 4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-[1-[[2-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-6-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-methylpiperidine-1-carboxamide?
The InChIKey is NNOIDFOMNMHYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H46F3N7O6/c1-48-23-32(30-10-15-45-22-31(30)39(48)54)27-20-35(56-3)33(36(21-27)57-41(42,43)44)24-50-16-13-29(14-17-50)49(2)40(55)51-18-11-26(12-19-51)25-4-6-28(7-5-25)46-34-8-9-37(52)47-38(34)53/h4-7,10,15,20-23,26,29,34,46H,8-9,11-14,16-19,24H2,1-3H3,(H,47,52,53).
What are the key properties of 4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-[1-[[2-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-6-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-methylpiperidine-1-carboxamide?
4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-[1-[[2-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-6-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-methylpiperidine-1-carboxamide has a molecular weight of 789.86 g/mol, XLogP of 5.62, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-[1-[[2-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-6-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 164719759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).