tert-butyl N-[2-[(2,6-dioxo-1-phenacylpiperidin-3-yl)amino]-2-oxoethyl]carbamate

C20H25N3O6 — CID 129143522

IUPACtert-butyl N-[2-[(2,6-dioxo-1-phenacylpiperidin-3-yl)amino]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NC1CCC(=O)N(CC(=O)c2ccccc2)C1=O
InChIInChI=1S/C20H25N3O6/c1-20(2,3)29-19(28)21-11-16(25)22-14-9-10-17(26)23(18(14)27)12-15(24)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,21,28)(H,22,25)
InChIKeyVXWSATVFIDEOGZ-UHFFFAOYSA-N
MW403.44 g/mol
LogP1.03
Rot. Bonds6

About tert-butyl N-[2-[(2,6-dioxo-1-phenacylpiperidin-3-yl)amino]-2-oxoethyl]carbamate

tert-butyl N-[2-[(2,6-dioxo-1-phenacylpiperidin-3-yl)amino]-2-oxoethyl]carbamate (PubChem CID 129143522) has the molecular formula C20H25N3O6 and a molecular weight of 403.44 g/mol. Its IUPAC name is tert-butyl N-[2-[(2,6-dioxo-1-phenacylpiperidin-3-yl)amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2,6-dioxo-1-phenacylpiperidin-3-yl)amino]-2-oxoethyl]carbamate
PubChem CID129143522
Molecular FormulaC20H25N3O6
Molecular Weight403.44 g/mol
Exact Mass403.17
IUPAC Nametert-butyl N-[2-[(2,6-dioxo-1-phenacylpiperidin-3-yl)amino]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NC1CCC(=O)N(CC(=O)c2ccccc2)C1=O
InChIInChI=1S/C20H25N3O6/c1-20(2,3)29-19(28)21-11-16(25)22-14-9-10-17(26)23(18(14)27)12-15(24)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,21,28)(H,22,25)
InChIKeyVXWSATVFIDEOGZ-UHFFFAOYSA-N
XLogP1.03
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 51.03
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-[[(3S)-1-[2-(hydroxyamino)-2-oxoethyl]-2,6-dioxopiperidin-3-yl]amino]-2-oxoethyl]carbamate
CID 46192886
N-(2,6-dioxo-1-phenacylpiperidin-3-yl)propanamide
CID 144975524
2-[2-aminoethyl(methyl)amino]-N-(2,6-dioxo-1-phenacylpiperidin-3-yl)acetamide
CID 144975528
N-(2,6-dioxo-1-phenacylpiperidin-3-yl)-2-[di(tetradecyl)amino]acetamide
CID 140786015
didecyl-[2-[(2,6-dioxo-1-phenacylpiperidin-3-yl)amino]-2-oxoethyl]-methylazanium iodide
CID 129113165
benzyl 2-[(3S)-3-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-2,6-dioxopiperidin-1-yl]acetate
CID 46192464
benzyl 2-[(3S)-3-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyl]amino]-2,6-dioxopiperidin-1-yl]acetate
CID 46192603
benzyl N-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]cyclohexyl]carbamate
CID 68827567
tert-butyl N-[2-[2-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]carbamate
CID 108917369
tert-butyl N-[2-(1-benzyl-2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate
CID 130441992
methyl (2S)-2-[[(6R,8aR)-6-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-5-oxo-1,2,3,6,7,8-hexahydroindolizine-8a-carbonyl]amino]-3-phenylpropanoate
CID 10815727
tert-butyl [2-[1-[2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylamino]-2-oxoethyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl] carbonate
CID 166452034

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2,6-dioxo-1-phenacylpiperidin-3-yl)amino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2,6-dioxo-1-phenacylpiperidin-3-yl)amino]-2-oxoethyl]carbamate (CID 129143522) is tert-butyl N-[2-[(2,6-dioxo-1-phenacylpiperidin-3-yl)amino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2,6-dioxo-1-phenacylpiperidin-3-yl)amino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2,6-dioxo-1-phenacylpiperidin-3-yl)amino]-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)NC1CCC(=O)N(CC(=O)c2ccccc2)C1=O.
What is the InChIKey of tert-butyl N-[2-[(2,6-dioxo-1-phenacylpiperidin-3-yl)amino]-2-oxoethyl]carbamate?
The InChIKey is VXWSATVFIDEOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O6/c1-20(2,3)29-19(28)21-11-16(25)22-14-9-10-17(26)23(18(14)27)12-15(24)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,21,28)(H,22,25).
What are the key properties of tert-butyl N-[2-[(2,6-dioxo-1-phenacylpiperidin-3-yl)amino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[(2,6-dioxo-1-phenacylpiperidin-3-yl)amino]-2-oxoethyl]carbamate has a molecular weight of 403.44 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2,6-dioxo-1-phenacylpiperidin-3-yl)amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 129143522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).