4-[3-[3-cyclopentylpropyl(methyl)amino]propoxy]-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione

C25H35N3O5 — CID 153358744

IUPAC4-[3-[3-cyclopentylpropyl(methyl)amino]propoxy]-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione
SMILESCN(CCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1O)C2=O)CCCC1CCCC1
InChIInChI=1S/C25H35N3O5/c1-27(14-5-9-17-7-2-3-8-17)15-6-16-33-20-11-4-10-18-22(20)25(32)28(24(18)31)19-12-13-21(29)26-23(19)30/h4,10-11,17,19,23,30H,2-3,5-9,12-16H2,1H3,(H,26,29)
InChIKeyAQPKGCQHXXLKID-UHFFFAOYSA-N
MW457.57 g/mol
LogP2.55
Rot. Bonds10

About 4-[3-[3-cyclopentylpropyl(methyl)amino]propoxy]-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione

4-[3-[3-cyclopentylpropyl(methyl)amino]propoxy]-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 153358744) has the molecular formula C25H35N3O5 and a molecular weight of 457.57 g/mol. Its IUPAC name is 4-[3-[3-cyclopentylpropyl(methyl)amino]propoxy]-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[3-[3-cyclopentylpropyl(methyl)amino]propoxy]-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID153358744
Molecular FormulaC25H35N3O5
Molecular Weight457.57 g/mol
Exact Mass457.26
IUPAC Name4-[3-[3-cyclopentylpropyl(methyl)amino]propoxy]-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione
SMILESCN(CCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1O)C2=O)CCCC1CCCC1
InChIInChI=1S/C25H35N3O5/c1-27(14-5-9-17-7-2-3-8-17)15-6-16-33-20-11-4-10-18-22(20)25(32)28(24(18)31)19-12-13-21(29)26-23(19)30/h4,10-11,17,19,23,30H,2-3,5-9,12-16H2,1H3,(H,26,29)
InChIKeyAQPKGCQHXXLKID-UHFFFAOYSA-N
XLogP2.55
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.57
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[3-[3-cyclopentylpropyl(methyl)amino]propoxy]-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[2-[2-[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]propanoic acid
CID 167471229
2-[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-phenylacetamide
CID 134571952
tert-butyl N-[3-[[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]carbamate
CID 166982467
4-[2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-2-oxoethoxy]-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione
CID 170243307
tert-butyl N-[2-[2-[2-[[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]carbamate
CID 167041549
2-(2,6-dioxopiperidin-3-yl)-4-(2-piperidin-4-ylethoxy)isoindole-1,3-dione;hydrochloride
CID 170701524
2-(2,6-dioxopiperidin-3-yl)-4-(11-oxododecoxy)isoindole-1,3-dione
CID 170374507
tert-butyl N-[(E)-2-[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]ethenyl]carbamate
CID 139373743
tert-butyl N-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxynon-5-ynyl]-N-methylcarbamate
CID 170979859
tert-butyl 4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethyl]piperidine-1-carboxylate
CID 170701502
tert-butyl 2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxybutoxy]acetate
CID 167164099
5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentanoic acid;methane
CID 159948017

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-cyclopentylpropyl(methyl)amino]propoxy]-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 4-[3-[3-cyclopentylpropyl(methyl)amino]propoxy]-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione (CID 153358744) is 4-[3-[3-cyclopentylpropyl(methyl)amino]propoxy]-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 4-[3-[3-cyclopentylpropyl(methyl)amino]propoxy]-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 4-[3-[3-cyclopentylpropyl(methyl)amino]propoxy]-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione is CN(CCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1O)C2=O)CCCC1CCCC1.
What is the InChIKey of 4-[3-[3-cyclopentylpropyl(methyl)amino]propoxy]-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is AQPKGCQHXXLKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O5/c1-27(14-5-9-17-7-2-3-8-17)15-6-16-33-20-11-4-10-18-22(20)25(32)28(24(18)31)19-12-13-21(29)26-23(19)30/h4,10-11,17,19,23,30H,2-3,5-9,12-16H2,1H3,(H,26,29).
What are the key properties of 4-[3-[3-cyclopentylpropyl(methyl)amino]propoxy]-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione?
4-[3-[3-cyclopentylpropyl(methyl)amino]propoxy]-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 457.57 g/mol, XLogP of 2.55, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-cyclopentylpropyl(methyl)amino]propoxy]-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 153358744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).