tert-butyl N-[2-[4-[(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)amino]piperidin-1-yl]-2-oxoethyl]carbamate

C24H32N4O6 — CID 108916710

IUPACtert-butyl N-[2-[4-[(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)amino]piperidin-1-yl]-2-oxoethyl]carbamate
SMILESCC(C)N1C(=O)c2ccc(C(=O)NC3CCN(C(=O)CNC(=O)OC(C)(C)C)CC3)cc2C1=O
InChIInChI=1S/C24H32N4O6/c1-14(2)28-21(31)17-7-6-15(12-18(17)22(28)32)20(30)26-16-8-10-27(11-9-16)19(29)13-25-23(33)34-24(3,4)5/h6-7,12,14,16H,8-11,13H2,1-5H3,(H,25,33)(H,26,30)
InChIKeyDDCDMJSWXSXEBK-UHFFFAOYSA-N
MW472.54 g/mol
LogP1.94
Rot. Bonds5

About tert-butyl N-[2-[4-[(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)amino]piperidin-1-yl]-2-oxoethyl]carbamate

tert-butyl N-[2-[4-[(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)amino]piperidin-1-yl]-2-oxoethyl]carbamate (PubChem CID 108916710) has the molecular formula C24H32N4O6 and a molecular weight of 472.54 g/mol. Its IUPAC name is tert-butyl N-[2-[4-[(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)amino]piperidin-1-yl]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-[(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)amino]piperidin-1-yl]-2-oxoethyl]carbamate
PubChem CID108916710
Molecular FormulaC24H32N4O6
Molecular Weight472.54 g/mol
Exact Mass472.23
IUPAC Nametert-butyl N-[2-[4-[(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)amino]piperidin-1-yl]-2-oxoethyl]carbamate
SMILESCC(C)N1C(=O)c2ccc(C(=O)NC3CCN(C(=O)CNC(=O)OC(C)(C)C)CC3)cc2C1=O
InChIInChI=1S/C24H32N4O6/c1-14(2)28-21(31)17-7-6-15(12-18(17)22(28)32)20(30)26-16-8-10-27(11-9-16)19(29)13-25-23(33)34-24(3,4)5/h6-7,12,14,16H,8-11,13H2,1-5H3,(H,25,33)(H,26,30)
InChIKeyDDCDMJSWXSXEBK-UHFFFAOYSA-N
XLogP1.94
TPSA125.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 51.94
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

tert-butyl N-[2-[4-[[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]carbamate
CID 108916398
N-[1-(2-methoxybenzoyl)piperidin-4-yl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide
CID 108551569
tert-butyl N-[2-[[4-[(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)amino]phenyl]methylamino]-2-oxoethyl]carbamate
CID 108917559
tert-butyl N-[3-[4-[[[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]amino]methyl]piperidin-1-yl]-3-oxopropyl]carbamate
CID 108919268
N-[1-(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)piperidin-4-yl]-3-methylbutanamide
CID 108549524
1,3-dioxo-2-propan-2-yl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]isoindole-5-carboxamide
CID 108932686
2,2-dichloro-N-[1-(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)piperidin-4-yl]acetamide
CID 108564460
N-(1-acetylpiperidin-4-yl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 108560251
tert-butyl N-[2-[4-[[2-(3-methylphenyl)acetyl]amino]piperidin-1-yl]-2-oxoethyl]carbamate
CID 108916770
3-[1-(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)piperidin-4-yl]-1,1-dimethylurea
CID 108564466
tert-butyl N-[2-[4-[[2-(4-bromophenyl)acetyl]amino]piperidin-1-yl]-2-oxoethyl]carbamate
CID 108916782
tert-butyl N-[2-[[1-[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]amino]-2-oxoethyl]carbamate
CID 108916751

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-[(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)amino]piperidin-1-yl]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-[(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)amino]piperidin-1-yl]-2-oxoethyl]carbamate (CID 108916710) is tert-butyl N-[2-[4-[(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)amino]piperidin-1-yl]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-[(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)amino]piperidin-1-yl]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-[(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)amino]piperidin-1-yl]-2-oxoethyl]carbamate is CC(C)N1C(=O)c2ccc(C(=O)NC3CCN(C(=O)CNC(=O)OC(C)(C)C)CC3)cc2C1=O.
What is the InChIKey of tert-butyl N-[2-[4-[(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)amino]piperidin-1-yl]-2-oxoethyl]carbamate?
The InChIKey is DDCDMJSWXSXEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O6/c1-14(2)28-21(31)17-7-6-15(12-18(17)22(28)32)20(30)26-16-8-10-27(11-9-16)19(29)13-25-23(33)34-24(3,4)5/h6-7,12,14,16H,8-11,13H2,1-5H3,(H,25,33)(H,26,30).
What are the key properties of tert-butyl N-[2-[4-[(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)amino]piperidin-1-yl]-2-oxoethyl]carbamate?
tert-butyl N-[2-[4-[(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)amino]piperidin-1-yl]-2-oxoethyl]carbamate has a molecular weight of 472.54 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-[(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)amino]piperidin-1-yl]-2-oxoethyl]carbamate is sourced from PubChem (CID 108916710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).