[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-(5-phenylpentyl)carbamic acid

C25H27N3O5 — CID 141341746

IUPAC[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-(5-phenylpentyl)carbamic acid
SMILESO=C1CCC(N2Cc3c(cccc3N(CCCCCc3ccccc3)C(=O)O)C2=O)C(=O)N1
InChIInChI=1S/C25H27N3O5/c29-22-14-13-21(23(30)26-22)28-16-19-18(24(28)31)11-7-12-20(19)27(25(32)33)15-6-2-5-10-17-8-3-1-4-9-17/h1,3-4,7-9,11-12,21H,2,5-6,10,13-16H2,(H,32,33)(H,26,29,30)
InChIKeyNGXQBMBRDAPRIX-UHFFFAOYSA-N
MW449.51 g/mol
LogP3.35
Rot. Bonds8

About [2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-(5-phenylpentyl)carbamic acid

[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-(5-phenylpentyl)carbamic acid (PubChem CID 141341746) has the molecular formula C25H27N3O5 and a molecular weight of 449.51 g/mol. Its IUPAC name is [2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-(5-phenylpentyl)carbamic acid.

Molecular Properties

Compound Name[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-(5-phenylpentyl)carbamic acid
PubChem CID141341746
Molecular FormulaC25H27N3O5
Molecular Weight449.51 g/mol
Exact Mass449.20
IUPAC Name[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-(5-phenylpentyl)carbamic acid
SMILESO=C1CCC(N2Cc3c(cccc3N(CCCCCc3ccccc3)C(=O)O)C2=O)C(=O)N1
InChIInChI=1S/C25H27N3O5/c29-22-14-13-21(23(30)26-22)28-16-19-18(24(28)31)11-7-12-20(19)27(25(32)33)15-6-2-5-10-17-8-3-1-4-9-17/h1,3-4,7-9,11-12,21H,2,5-6,10,13-16H2,(H,32,33)(H,26,29,30)
InChIKeyNGXQBMBRDAPRIX-UHFFFAOYSA-N
XLogP3.35
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-oxo-7-(2-phenylethylsulfanyl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162648894
3-[7-[4-aminobutyl(3-aminopropyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170701920
3-[3-oxo-7-(2-phenylethoxy)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 25015584
3-[7-[4-aminobutyl(3-aminopropyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;dihydrochloride
CID 170701919
3-[7-[4-(hydroxymethyl)phenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167940424
N'-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-N'-hydroxyoctanediamide
CID 171591892
4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]butanoic acid
CID 156735808
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-4-octylbenzamide
CID 73293447
3-[7-(5-iodopentyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 172548311
9-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]sulfonyl]nonanoic acid
CID 152570559
N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-propylamino]butyl]acetamide
CID 170702070
tert-butyl N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-methylamino]butyl]carbamate
CID 170701960

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-(5-phenylpentyl)carbamic acid?
The IUPAC name of [2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-(5-phenylpentyl)carbamic acid (CID 141341746) is [2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-(5-phenylpentyl)carbamic acid.
What is the SMILES notation for [2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-(5-phenylpentyl)carbamic acid?
The canonical SMILES for [2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-(5-phenylpentyl)carbamic acid is O=C1CCC(N2Cc3c(cccc3N(CCCCCc3ccccc3)C(=O)O)C2=O)C(=O)N1.
What is the InChIKey of [2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-(5-phenylpentyl)carbamic acid?
The InChIKey is NGXQBMBRDAPRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5/c29-22-14-13-21(23(30)26-22)28-16-19-18(24(28)31)11-7-12-20(19)27(25(32)33)15-6-2-5-10-17-8-3-1-4-9-17/h1,3-4,7-9,11-12,21H,2,5-6,10,13-16H2,(H,32,33)(H,26,29,30).
What are the key properties of [2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-(5-phenylpentyl)carbamic acid?
[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-(5-phenylpentyl)carbamic acid has a molecular weight of 449.51 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-(5-phenylpentyl)carbamic acid is sourced from PubChem (CID 141341746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).