N-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-12-carboxamide

About N-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-12-carboxamide

N-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-12-carboxamide (PubChem CID 167401103) has the molecular formula C40H46N10O6 and a molecular weight of 762.87 g/mol. Its IUPAC name is N-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-12-carboxamide.

Molecular Properties

Compound Name	N-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-12-carboxamide
PubChem CID	167401103
Molecular Formula	C40H46N10O6
Molecular Weight	762.87 g/mol
Exact Mass	762.36
IUPAC Name	N-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-12-carboxamide
SMILES	O=C1CCC(N2C(=O)c3ccc(N4CCC(CN5CCC(NC(=O)N6CCN7c8cc(-c9ccccc9O)nnc8NCC7C6)CC5)CC4)cc3C2=O)C(=O)N1
InChI	InChI=1S/C40H46N10O6/c51-34-4-2-1-3-29(34)31-20-33-36(45-44-31)41-21-27-23-48(17-18-49(27)33)40(56)42-25-11-13-46(14-12-25)22-24-9-15-47(16-10-24)26-5-6-28-30(19-26)39(55)50(38(28)54)32-7-8-35(52)43-37(32)53/h1-6,19-20,24-25,27,32,51H,7-18,21-23H2,(H,41,45)(H,42,56)(H,43,52,53)
InChIKey	GXXQPWZFMGPBGA-UHFFFAOYSA-N
XLogP	2.26
TPSA	183.65 Å²
H-Bond Donors	4
H-Bond Acceptors	12
Rotatable Bonds	6
Heavy Atoms	56
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	762.87
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-12-carboxamide?

The IUPAC name of N-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-12-carboxamide (CID 167401103) is N-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-12-carboxamide.

What is the SMILES notation for N-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-12-carboxamide?

The canonical SMILES for N-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-12-carboxamide is O=C1CCC(N2C(=O)c3ccc(N4CCC(CN5CCC(NC(=O)N6CCN7c8cc(-c9ccccc9O)nnc8NCC7C6)CC5)CC4)cc3C2=O)C(=O)N1.

What is the InChIKey of N-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-12-carboxamide?

The InChIKey is GXXQPWZFMGPBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H46N10O6/c51-34-4-2-1-3-29(34)31-20-33-36(45-44-31)41-21-27-23-48(17-18-49(27)33)40(56)42-25-11-13-46(14-12-25)22-24-9-15-47(16-10-24)26-5-6-28-30(19-26)39(55)50(38(28)54)32-7-8-35(52)43-37(32)53/h1-6,19-20,24-25,27,32,51H,7-18,21-23H2,(H,41,45)(H,42,56)(H,43,52,53).

What are the key properties of N-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-12-carboxamide?

N-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-12-carboxamide has a molecular weight of 762.87 g/mol, XLogP of 2.26, 6 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-12-carboxamide is sourced from PubChem (CID 167401103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).