1-[2-[3-[[4-[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypiperidin-1-yl]methyl]piperidin-1-yl]methyl]phenoxy]ethyl]-N-hydroxyindole-6-carboxamide

C42H46N6O8 — CID 170703851

IUPAC1-[2-[3-[[4-[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypiperidin-1-yl]methyl]piperidin-1-yl]methyl]phenoxy]ethyl]-N-hydroxyindole-6-carboxamide
SMILESO=C1CCC(N2C(=O)c3ccc(OC4CCCN(CC5CCN(Cc6cccc(OCCn7ccc8ccc(C(=O)NO)cc87)c6)CC5)C4)cc3C2=O)C(=O)N1
InChIInChI=1S/C42H46N6O8/c49-38-11-10-36(40(51)43-38)48-41(52)34-9-8-32(23-35(34)42(48)53)56-33-5-2-15-46(26-33)24-27-12-16-45(17-13-27)25-28-3-1-4-31(21-28)55-20-19-47-18-14-29-6-7-30(22-37(29)47)39(50)44-54/h1,3-4,6-9,14,18,21-23,27,33,36,54H,2,5,10-13,15-17,19-20,24-26H2,(H,44,50)(H,43,49,51)
InChIKeySIPFJMIKWHZBDI-UHFFFAOYSA-N
MW762.86 g/mol
LogP4.00
Rot. Bonds12

About 1-[2-[3-[[4-[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypiperidin-1-yl]methyl]piperidin-1-yl]methyl]phenoxy]ethyl]-N-hydroxyindole-6-carboxamide

1-[2-[3-[[4-[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypiperidin-1-yl]methyl]piperidin-1-yl]methyl]phenoxy]ethyl]-N-hydroxyindole-6-carboxamide (PubChem CID 170703851) has the molecular formula C42H46N6O8 and a molecular weight of 762.86 g/mol. Its IUPAC name is 1-[2-[3-[[4-[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypiperidin-1-yl]methyl]piperidin-1-yl]methyl]phenoxy]ethyl]-N-hydroxyindole-6-carboxamide.

Molecular Properties

Compound Name1-[2-[3-[[4-[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypiperidin-1-yl]methyl]piperidin-1-yl]methyl]phenoxy]ethyl]-N-hydroxyindole-6-carboxamide
PubChem CID170703851
Molecular FormulaC42H46N6O8
Molecular Weight762.86 g/mol
Exact Mass762.34
IUPAC Name1-[2-[3-[[4-[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypiperidin-1-yl]methyl]piperidin-1-yl]methyl]phenoxy]ethyl]-N-hydroxyindole-6-carboxamide
SMILESO=C1CCC(N2C(=O)c3ccc(OC4CCCN(CC5CCN(Cc6cccc(OCCn7ccc8ccc(C(=O)NO)cc87)c6)CC5)C4)cc3C2=O)C(=O)N1
InChIInChI=1S/C42H46N6O8/c49-38-11-10-36(40(51)43-38)48-41(52)34-9-8-32(23-35(34)42(48)53)56-33-5-2-15-46(26-33)24-27-12-16-45(17-13-27)25-28-3-1-4-31(21-28)55-20-19-47-18-14-29-6-7-30(22-37(29)47)39(50)44-54/h1,3-4,6-9,14,18,21-23,27,33,36,54H,2,5,10-13,15-17,19-20,24-26H2,(H,44,50)(H,43,49,51)
InChIKeySIPFJMIKWHZBDI-UHFFFAOYSA-N
XLogP4.00
TPSA162.75 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.86
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-[2-[3-[[4-[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypiperidin-1-yl]methyl]piperidin-1-yl]methyl]phenoxy]ethyl]-N-hydroxyindole-6-carboxamide with MolForge

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Related Compounds

1-[2-[3-[[9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]nonanoyl-methylamino]methyl]phenoxy]ethyl]-N-(oxan-2-yloxy)indole-6-carboxamide
CID 170704067
N-[5-[[4-[[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]piperidin-4-yl]methyl]piperazin-1-yl]methyl]-1-[4-(hydroxymethyl)phenyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 138657144
5-[[1-[[1-[2-[4-[1,2-bis(4-hydroxyphenyl)but-1-enyl]phenoxy]ethyl]piperidin-4-yl]methyl]piperidin-3-yl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 170157784
5-(4-aminocyclohexyl)oxy-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 176816727
6-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]azetidin-1-yl]pyridine-3-carboxylic acid
CID 134414054
N-[5-[[4-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethyl]piperazin-1-yl]methyl]-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 138620549
N-[1-[4-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxymethyl]phenyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 138656810
5-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 155673299
2-(2,6-dioxopiperidin-3-yl)-5-(6-oxoheptoxy)isoindole-1,3-dione
CID 134489038
2-(2,6-dioxopiperidin-3-yl)-5-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]isoindole-1,3-dione
CID 167736784
2-(2,6-dioxopiperidin-3-yl)-5-[[4-[2-(methylamino)ethyl]piperidin-1-yl]methyl]isoindole-1,3-dione
CID 167714756
1-[2-[3-[[2-[2-(3-cyclopentylpropoxy)ethoxy]ethyl-methylamino]methyl]phenoxy]ethyl]-N-hydroxyindole-6-carboxamide
CID 170703879

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[[4-[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypiperidin-1-yl]methyl]piperidin-1-yl]methyl]phenoxy]ethyl]-N-hydroxyindole-6-carboxamide?
The IUPAC name of 1-[2-[3-[[4-[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypiperidin-1-yl]methyl]piperidin-1-yl]methyl]phenoxy]ethyl]-N-hydroxyindole-6-carboxamide (CID 170703851) is 1-[2-[3-[[4-[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypiperidin-1-yl]methyl]piperidin-1-yl]methyl]phenoxy]ethyl]-N-hydroxyindole-6-carboxamide.
What is the SMILES notation for 1-[2-[3-[[4-[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypiperidin-1-yl]methyl]piperidin-1-yl]methyl]phenoxy]ethyl]-N-hydroxyindole-6-carboxamide?
The canonical SMILES for 1-[2-[3-[[4-[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypiperidin-1-yl]methyl]piperidin-1-yl]methyl]phenoxy]ethyl]-N-hydroxyindole-6-carboxamide is O=C1CCC(N2C(=O)c3ccc(OC4CCCN(CC5CCN(Cc6cccc(OCCn7ccc8ccc(C(=O)NO)cc87)c6)CC5)C4)cc3C2=O)C(=O)N1.
What is the InChIKey of 1-[2-[3-[[4-[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypiperidin-1-yl]methyl]piperidin-1-yl]methyl]phenoxy]ethyl]-N-hydroxyindole-6-carboxamide?
The InChIKey is SIPFJMIKWHZBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H46N6O8/c49-38-11-10-36(40(51)43-38)48-41(52)34-9-8-32(23-35(34)42(48)53)56-33-5-2-15-46(26-33)24-27-12-16-45(17-13-27)25-28-3-1-4-31(21-28)55-20-19-47-18-14-29-6-7-30(22-37(29)47)39(50)44-54/h1,3-4,6-9,14,18,21-23,27,33,36,54H,2,5,10-13,15-17,19-20,24-26H2,(H,44,50)(H,43,49,51).
What are the key properties of 1-[2-[3-[[4-[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypiperidin-1-yl]methyl]piperidin-1-yl]methyl]phenoxy]ethyl]-N-hydroxyindole-6-carboxamide?
1-[2-[3-[[4-[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypiperidin-1-yl]methyl]piperidin-1-yl]methyl]phenoxy]ethyl]-N-hydroxyindole-6-carboxamide has a molecular weight of 762.86 g/mol, XLogP of 4.00, 12 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[[4-[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypiperidin-1-yl]methyl]piperidin-1-yl]methyl]phenoxy]ethyl]-N-hydroxyindole-6-carboxamide is sourced from PubChem (CID 170703851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).