tert-butyl N-[(1S,2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclohexyl]carbamate

C24H31N3O6 — CID 146764266

IUPACtert-butyl N-[(1S,2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1Oc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C24H31N3O6/c1-24(2,3)33-23(31)25-17-6-4-5-7-19(17)32-15-8-9-16-14(12-15)13-27(22(16)30)18-10-11-20(28)26-21(18)29/h8-9,12,17-19H,4-7,10-11,13H2,1-3H3,(H,25,31)(H,26,28,29)/t17-,18?,19-/m0/s1
InChIKeyRQCXAQPPTAMNNG-JVUMBYKBSA-N
MW457.53 g/mol
LogP2.66
Rot. Bonds4

About tert-butyl N-[(1S,2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclohexyl]carbamate

tert-butyl N-[(1S,2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclohexyl]carbamate (PubChem CID 146764266) has the molecular formula C24H31N3O6 and a molecular weight of 457.53 g/mol. Its IUPAC name is tert-butyl N-[(1S,2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclohexyl]carbamate
PubChem CID146764266
Molecular FormulaC24H31N3O6
Molecular Weight457.53 g/mol
Exact Mass457.22
IUPAC Nametert-butyl N-[(1S,2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1Oc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C24H31N3O6/c1-24(2,3)33-23(31)25-17-6-4-5-7-19(17)32-15-8-9-16-14(12-15)13-27(22(16)30)18-10-11-20(28)26-21(18)29/h8-9,12,17-19H,4-7,10-11,13H2,1-3H3,(H,25,31)(H,26,28,29)/t17-,18?,19-/m0/s1
InChIKeyRQCXAQPPTAMNNG-JVUMBYKBSA-N
XLogP2.66
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[6-[(1S)-2-methylcyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170104196
3-[6-[(1S,2R)-2-(2-methylpropylamino)cycloheptyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146300261
[(1R,2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclohexyl] carbamate
CID 175127633
3-[6-(2-hydroxycyclopentyl)oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146296642
[(3S,4S)-4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]oxan-3-yl]carbamic acid
CID 146296881
tert-butyl N-[(1S,2S)-2-[[2-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-1-oxo-3H-isoindol-5-yl]oxy]cycloheptyl]carbamate
CID 153313010
3-[6-[(1S,2R)-2-(oxan-4-ylmethylamino)cycloheptyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146296771
3-[3-oxo-6-[(1S,2S)-2-[[1-(trifluoromethyl)cyclopropyl]methylamino]cyclohexyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146300305
3-(6-cyclopentyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;ethane
CID 153391942
3-[6-[(1S,2R)-2-[(3-methyloxetan-3-yl)methylamino]cycloheptyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146300461
3-[6-[(1R,2R)-2-[(3-methyloxetan-3-yl)methylamino]cycloheptyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146300460
3-[6-[(1S,2R)-2-[(3-fluoro-3-methylcyclobutyl)methylamino]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 160752526

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclohexyl]carbamate (CID 146764266) is tert-butyl N-[(1S,2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclohexyl]carbamate is CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1Oc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of tert-butyl N-[(1S,2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclohexyl]carbamate?
The InChIKey is RQCXAQPPTAMNNG-JVUMBYKBSA-N. The full InChI is InChI=1S/C24H31N3O6/c1-24(2,3)33-23(31)25-17-6-4-5-7-19(17)32-15-8-9-16-14(12-15)13-27(22(16)30)18-10-11-20(28)26-21(18)29/h8-9,12,17-19H,4-7,10-11,13H2,1-3H3,(H,25,31)(H,26,28,29)/t17-,18?,19-/m0/s1.
What are the key properties of tert-butyl N-[(1S,2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclohexyl]carbamate?
tert-butyl N-[(1S,2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclohexyl]carbamate has a molecular weight of 457.53 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclohexyl]carbamate is sourced from PubChem (CID 146764266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).