tert-butyl 2-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]methyl]piperidine-1-carboxylate

C24H32N4O5 — CID 162470367

IUPACtert-butyl 2-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1CNc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C24H32N4O5/c1-24(2,3)33-23(32)27-11-5-4-6-17(27)13-25-16-7-8-18-15(12-16)14-28(22(18)31)19-9-10-20(29)26-21(19)30/h7-8,12,17,19,25H,4-6,9-11,13-14H2,1-3H3,(H,26,29,30)
InChIKeyPMTVHJFDOSLNTG-UHFFFAOYSA-N
MW456.54 g/mol
LogP2.65
Rot. Bonds4

About tert-butyl 2-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]methyl]piperidine-1-carboxylate

tert-butyl 2-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]methyl]piperidine-1-carboxylate (PubChem CID 162470367) has the molecular formula C24H32N4O5 and a molecular weight of 456.54 g/mol. Its IUPAC name is tert-butyl 2-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]methyl]piperidine-1-carboxylate
PubChem CID162470367
Molecular FormulaC24H32N4O5
Molecular Weight456.54 g/mol
Exact Mass456.24
IUPAC Nametert-butyl 2-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1CNc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C24H32N4O5/c1-24(2,3)33-23(32)27-11-5-4-6-17(27)13-25-16-7-8-18-15(12-16)14-28(22(18)31)19-9-10-20(29)26-21(19)30/h7-8,12,17,19,25H,4-6,9-11,13-14H2,1-3H3,(H,26,29,30)
InChIKeyPMTVHJFDOSLNTG-UHFFFAOYSA-N
XLogP2.65
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl 2-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]methyl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]piperidine-1-carboxylate
CID 175128308
3-[3-oxo-6-(prop-2-ynylamino)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156508011
tert-butyl (1S,4S)-5-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]-2-oxoethyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 172510359
3-[6-(2-bromoethylamino)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167274132
4-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]methyl]benzoic acid
CID 166069290
3-[6-[[1-[2-(4-methoxyphenyl)-2-methylpropanoyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156792013
4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]butanoic acid
CID 167462909
1-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]carbamoyl]-1,3,3-trimethylurea
CID 166426847
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 2-[(3,4-dichloroanilino)methyl]piperidine-1-carboxylate
CID 106632864
3-[6-[[(2R)-1-[2-(dimethylamino)acetyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156512019
tert-butyl (2S,6R)-4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,6-dimethylpiperazine-1-carboxylate
CID 134579791

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]methyl]piperidine-1-carboxylate (CID 162470367) is tert-butyl 2-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1CNc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of tert-butyl 2-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]methyl]piperidine-1-carboxylate?
The InChIKey is PMTVHJFDOSLNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O5/c1-24(2,3)33-23(32)27-11-5-4-6-17(27)13-25-16-7-8-18-15(12-16)14-28(22(18)31)19-9-10-20(29)26-21(19)30/h7-8,12,17,19,25H,4-6,9-11,13-14H2,1-3H3,(H,26,29,30).
What are the key properties of tert-butyl 2-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]methyl]piperidine-1-carboxylate?
tert-butyl 2-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]methyl]piperidine-1-carboxylate has a molecular weight of 456.54 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 162470367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).