propan-2-yl 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonyl]amino]piperidine-1-carboxylate

C23H28N4O6 — CID 166409636

IUPACpropan-2-yl 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonyl]amino]piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(NC(=O)c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)CC1
InChIInChI=1S/C23H28N4O6/c1-13(2)33-23(32)26-9-7-16(8-10-26)24-20(29)14-3-4-17-15(11-14)12-27(22(17)31)18-5-6-19(28)25-21(18)30/h3-4,11,13,16,18H,5-10,12H2,1-2H3,(H,24,29)(H,25,28,30)
InChIKeySMSRSBOQTYEZGF-UHFFFAOYSA-N
MW456.50 g/mol
LogP1.19
Rot. Bonds4

About propan-2-yl 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonyl]amino]piperidine-1-carboxylate

propan-2-yl 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 166409636) has the molecular formula C23H28N4O6 and a molecular weight of 456.50 g/mol. Its IUPAC name is propan-2-yl 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonyl]amino]piperidine-1-carboxylate
PubChem CID166409636
Molecular FormulaC23H28N4O6
Molecular Weight456.50 g/mol
Exact Mass456.20
IUPAC Namepropan-2-yl 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonyl]amino]piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(NC(=O)c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)CC1
InChIInChI=1S/C23H28N4O6/c1-13(2)33-23(32)26-9-7-16(8-10-26)24-20(29)14-3-4-17-15(11-14)12-27(22(17)31)18-5-6-19(28)25-21(18)30/h3-4,11,13,16,18H,5-10,12H2,1-2H3,(H,24,29)(H,25,28,30)
InChIKeySMSRSBOQTYEZGF-UHFFFAOYSA-N
XLogP1.19
TPSA125.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze propan-2-yl 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonyl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

2-(2,6-dioxopiperidin-3-yl)-N-(3-methylbutan-2-yl)-1-oxo-3H-isoindole-5-carboxamide
CID 155338775
3-[6-(2-methylpropanoyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177251287
N-[(S)-cyclodecyl(cyclononyl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
CID 167231206
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
CID 155339091
2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[2,2,2-trifluoro-1-(3-methylcyclohexyl)ethyl]-3H-isoindole-5-carboxamide
CID 155350197
N-[(R)-cyclopentyl(phenyl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
CID 167231155
tert-butyl N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonyl]amino]heptyl]carbamate
CID 175891825
4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonyl]amino]butanoic acid
CID 166425977
N-[(3S)-azepan-3-yl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 166425873
3-[6-(2,5-dihydropyrrole-1-carbonyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146150009
2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[(1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]-3H-isoindole-5-carboxamide
CID 155338795
5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonyl]amino]pentanoic acid
CID 166425957

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonyl]amino]piperidine-1-carboxylate (CID 166409636) is propan-2-yl 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonyl]amino]piperidine-1-carboxylate is CC(C)OC(=O)N1CCC(NC(=O)c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)CC1.
What is the InChIKey of propan-2-yl 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is SMSRSBOQTYEZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O6/c1-13(2)33-23(32)26-9-7-16(8-10-26)24-20(29)14-3-4-17-15(11-14)12-27(22(17)31)18-5-6-19(28)25-21(18)30/h3-4,11,13,16,18H,5-10,12H2,1-2H3,(H,24,29)(H,25,28,30).
What are the key properties of propan-2-yl 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonyl]amino]piperidine-1-carboxylate?
propan-2-yl 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 456.50 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 166409636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).