tert-butyl 4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3,3-diethyl-2,6-dihydropyridine-1-carboxylate

C27H35N3O5 — CID 177018212

IUPACtert-butyl 4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3,3-diethyl-2,6-dihydropyridine-1-carboxylate
SMILESCCC1(CC)CN(C(=O)OC(C)(C)C)CC=C1c1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C27H35N3O5/c1-6-27(7-2)16-29(25(34)35-26(3,4)5)13-12-20(27)17-8-9-19-18(14-17)15-30(24(19)33)21-10-11-22(31)28-23(21)32/h8-9,12,14,21H,6-7,10-11,13,15-16H2,1-5H3,(H,28,31,32)
InChIKeyBWVRIWIWSSKBAX-UHFFFAOYSA-N
MW481.59 g/mol
LogP3.89
Rot. Bonds4

About tert-butyl 4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3,3-diethyl-2,6-dihydropyridine-1-carboxylate

tert-butyl 4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3,3-diethyl-2,6-dihydropyridine-1-carboxylate (PubChem CID 177018212) has the molecular formula C27H35N3O5 and a molecular weight of 481.59 g/mol. Its IUPAC name is tert-butyl 4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3,3-diethyl-2,6-dihydropyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3,3-diethyl-2,6-dihydropyridine-1-carboxylate
PubChem CID177018212
Molecular FormulaC27H35N3O5
Molecular Weight481.59 g/mol
Exact Mass481.26
IUPAC Nametert-butyl 4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3,3-diethyl-2,6-dihydropyridine-1-carboxylate
SMILESCCC1(CC)CN(C(=O)OC(C)(C)C)CC=C1c1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C27H35N3O5/c1-6-27(7-2)16-29(25(34)35-26(3,4)5)13-12-20(27)17-8-9-19-18(14-17)15-30(24(19)33)21-10-11-22(31)28-23(21)32/h8-9,12,14,21H,6-7,10-11,13,15-16H2,1-5H3,(H,28,31,32)
InChIKeyBWVRIWIWSSKBAX-UHFFFAOYSA-N
XLogP3.89
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.59
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl 4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3,3-diethyl-2,6-dihydropyridine-1-carboxylate 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

2-tert-butyl-4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 138562678
tert-butyl 6-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane
CID 178005677
tert-butyl 2-[[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]oxy]acetate
CID 178169099
tert-butyl 4-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidine-1-carbonyl]piperidine-1-carboxylate
CID 172592088
tert-butyl 4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate;3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;hydrochloride
CID 158727353
tert-butyl 6-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]-2-azaspiro[3.3]heptane-2-carboxylate
CID 140899209
tert-butyl (2S,6R)-4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,6-dimethylpiperazine-1-carboxylate
CID 134579791
tert-butyl N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]ethyl]carbamate
CID 134580304
tert-butyl 4-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidine-1-carboxylate
CID 171098309
tert-butyl 3-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1,4-diazepan-1-yl]methyl]azetidine-1-carboxylate
CID 171508845
tert-butyl 2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]piperidine-1-carboxylate
CID 175128308
tert-butyl 2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-fluoro-4-pyridinyl]methyl]-2,8-diazaspiro[3.5]nonane-8-carboxylate
CID 170649405

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3,3-diethyl-2,6-dihydropyridine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3,3-diethyl-2,6-dihydropyridine-1-carboxylate (CID 177018212) is tert-butyl 4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3,3-diethyl-2,6-dihydropyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3,3-diethyl-2,6-dihydropyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3,3-diethyl-2,6-dihydropyridine-1-carboxylate is CCC1(CC)CN(C(=O)OC(C)(C)C)CC=C1c1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of tert-butyl 4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3,3-diethyl-2,6-dihydropyridine-1-carboxylate?
The InChIKey is BWVRIWIWSSKBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O5/c1-6-27(7-2)16-29(25(34)35-26(3,4)5)13-12-20(27)17-8-9-19-18(14-17)15-30(24(19)33)21-10-11-22(31)28-23(21)32/h8-9,12,14,21H,6-7,10-11,13,15-16H2,1-5H3,(H,28,31,32).
What are the key properties of tert-butyl 4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3,3-diethyl-2,6-dihydropyridine-1-carboxylate?
tert-butyl 4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3,3-diethyl-2,6-dihydropyridine-1-carboxylate has a molecular weight of 481.59 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3,3-diethyl-2,6-dihydropyridine-1-carboxylate is sourced from PubChem (CID 177018212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).