N-[(R)-cyclopentyl(phenyl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide

C26H27N3O4 — CID 167231155

IUPACN-[(R)-cyclopentyl(phenyl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
SMILESO=C1CCC(N2Cc3cc(C(=O)N[C@@H](c4ccccc4)C4CCCC4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C26H27N3O4/c30-22-13-12-21(25(32)27-22)29-15-19-14-18(10-11-20(19)26(29)33)24(31)28-23(17-8-4-5-9-17)16-6-2-1-3-7-16/h1-3,6-7,10-11,14,17,21,23H,4-5,8-9,12-13,15H2,(H,28,31)(H,27,30,32)/t21?,23-/m0/s1
InChIKeyZALGBJCFPWAMCI-YANBTOMASA-N
MW445.52 g/mol
LogP3.11
Rot. Bonds5

About N-[(R)-cyclopentyl(phenyl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide

N-[(R)-cyclopentyl(phenyl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide (PubChem CID 167231155) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[(R)-cyclopentyl(phenyl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-[(R)-cyclopentyl(phenyl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
PubChem CID167231155
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC NameN-[(R)-cyclopentyl(phenyl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
SMILESO=C1CCC(N2Cc3cc(C(=O)N[C@@H](c4ccccc4)C4CCCC4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C26H27N3O4/c30-22-13-12-21(25(32)27-22)29-15-19-14-18(10-11-20(19)26(29)33)24(31)28-23(17-8-4-5-9-17)16-6-2-1-3-7-16/h1-3,6-7,10-11,14,17,21,23H,4-5,8-9,12-13,15H2,(H,28,31)(H,27,30,32)/t21?,23-/m0/s1
InChIKeyZALGBJCFPWAMCI-YANBTOMASA-N
XLogP3.11
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(R)-cyclohexyl(pyridin-2-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
CID 167230253
N-[(S)-cyclodecyl(cyclononyl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
CID 167231206
2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]-3H-isoindole-5-carboxamide
CID 155338677
2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[(E)-4,4,4-trifluoro-1-phenylbut-2-enyl]-3H-isoindole-5-carboxamide
CID 155732541
(2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonyl]amino]-3-phenylpropanoic acid
CID 166425969
2-(2,6-dioxopiperidin-3-yl)-N-(3-methylbutan-2-yl)-1-oxo-3H-isoindole-5-carboxamide
CID 155338775
N-[(S)-(3-chloro-5-fluoro-2-pyridinyl)-cyclobutylmethyl]-2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindole-5-carboxamide
CID 167230602
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
2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-3H-isoindole-5-carboxamide
CID 155338947
N-[1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
CID 155338801
2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[(1S)-3,3,3-trifluoro-1-(4-fluorophenyl)propyl]-3H-isoindole-5-carboxamide
CID 155338913

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyclopentyl(phenyl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide?
The IUPAC name of N-[(R)-cyclopentyl(phenyl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide (CID 167231155) is N-[(R)-cyclopentyl(phenyl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide.
What is the SMILES notation for N-[(R)-cyclopentyl(phenyl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide?
The canonical SMILES for N-[(R)-cyclopentyl(phenyl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide is O=C1CCC(N2Cc3cc(C(=O)N[C@@H](c4ccccc4)C4CCCC4)ccc3C2=O)C(=O)N1.
What is the InChIKey of N-[(R)-cyclopentyl(phenyl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide?
The InChIKey is ZALGBJCFPWAMCI-YANBTOMASA-N. The full InChI is InChI=1S/C26H27N3O4/c30-22-13-12-21(25(32)27-22)29-15-19-14-18(10-11-20(19)26(29)33)24(31)28-23(17-8-4-5-9-17)16-6-2-1-3-7-16/h1-3,6-7,10-11,14,17,21,23H,4-5,8-9,12-13,15H2,(H,28,31)(H,27,30,32)/t21?,23-/m0/s1.
What are the key properties of N-[(R)-cyclopentyl(phenyl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide?
N-[(R)-cyclopentyl(phenyl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyclopentyl(phenyl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide is sourced from PubChem (CID 167231155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).