tert-butyl N-[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]-2,3-dihydro-1,4-benzoxazin-8-yl]piperidin-4-yl]-N-methylcarbamate

C24H34N4O5 — CID 170449913

IUPACtert-butyl N-[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]-2,3-dihydro-1,4-benzoxazin-8-yl]piperidin-4-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCN(c2cccc3c2OCCN3[C@H]2CCC(=O)NC2=O)CC1
InChIInChI=1S/C24H34N4O5/c1-24(2,3)33-23(31)26(4)16-10-12-27(13-11-16)17-6-5-7-18-21(17)32-15-14-28(18)19-8-9-20(29)25-22(19)30/h5-7,16,19H,8-15H2,1-4H3,(H,25,29,30)/t19-/m0/s1
InChIKeyMJIXHMFJJOZHGD-IBGZPJMESA-N
MW458.56 g/mol
LogP2.53
Rot. Bonds3

About tert-butyl N-[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]-2,3-dihydro-1,4-benzoxazin-8-yl]piperidin-4-yl]-N-methylcarbamate

tert-butyl N-[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]-2,3-dihydro-1,4-benzoxazin-8-yl]piperidin-4-yl]-N-methylcarbamate (PubChem CID 170449913) has the molecular formula C24H34N4O5 and a molecular weight of 458.56 g/mol. Its IUPAC name is tert-butyl N-[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]-2,3-dihydro-1,4-benzoxazin-8-yl]piperidin-4-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]-2,3-dihydro-1,4-benzoxazin-8-yl]piperidin-4-yl]-N-methylcarbamate
PubChem CID170449913
Molecular FormulaC24H34N4O5
Molecular Weight458.56 g/mol
Exact Mass458.25
IUPAC Nametert-butyl N-[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]-2,3-dihydro-1,4-benzoxazin-8-yl]piperidin-4-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCN(c2cccc3c2OCCN3[C@H]2CCC(=O)NC2=O)CC1
InChIInChI=1S/C24H34N4O5/c1-24(2,3)33-23(31)26(4)16-10-12-27(13-11-16)17-6-5-7-18-21(17)32-15-14-28(18)19-8-9-20(29)25-22(19)30/h5-7,16,19H,8-15H2,1-4H3,(H,25,29,30)/t19-/m0/s1
InChIKeyMJIXHMFJJOZHGD-IBGZPJMESA-N
XLogP2.53
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[4-(2,6-dioxopiperidin-3-yl)-2,3-dihydro-1,4-benzoxazin-8-yl]piperidin-4-yl]-N-methyl-4-phenoxypiperidine-1-carboxamide
CID 174364890
tert-butyl N-[1-[3-[[(3R)-2,6-dioxopiperidin-3-yl]-methylamino]phenyl]piperidin-4-yl]-N-methylcarbamate
CID 170624579
tert-butyl 1-[1-(2,6-dioxopiperidin-3-yl)-2,3-dihydroindol-4-yl]piperidine-4-carboxylate
CID 170437347
tert-butyl N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]cyclohexyl]-N-methylcarbamate
CID 175995361
tert-butyl N-[1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]piperidin-4-yl]-N-methylcarbamate
CID 146598676
tert-butyl N-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]cyclohexyl]-N-methylcarbamate
CID 146599147
4-[8-[4-(methylamino)piperidin-1-yl]-2,3-dihydro-1,4-benzoxazin-4-yl]-3-methylsulfanylazepane-2,7-dione
CID 174362374
tert-butyl 3-[1-[1-(2,6-dioxopiperidin-3-yl)-2,3-dihydroindol-4-yl]azetidin-3-yl]propanoate
CID 170625609
tert-butyl N-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]carbamate
CID 132508976
tert-butyl N-[1-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]prop-2-ynyl]piperidin-4-yl]-N-methylcarbamate
CID 138694305
tert-butyl N-[1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]piperidin-4-yl]carbamate
CID 138467669
tert-butyl N-methyl-N-[1-[3-methyl-1-(1-methyl-2,6-dioxopiperidin-3-yl)-2-oxobenzimidazol-4-yl]piperidin-4-yl]carbamate
CID 155437928

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]-2,3-dihydro-1,4-benzoxazin-8-yl]piperidin-4-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]-2,3-dihydro-1,4-benzoxazin-8-yl]piperidin-4-yl]-N-methylcarbamate (CID 170449913) is tert-butyl N-[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]-2,3-dihydro-1,4-benzoxazin-8-yl]piperidin-4-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]-2,3-dihydro-1,4-benzoxazin-8-yl]piperidin-4-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]-2,3-dihydro-1,4-benzoxazin-8-yl]piperidin-4-yl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)C1CCN(c2cccc3c2OCCN3[C@H]2CCC(=O)NC2=O)CC1.
What is the InChIKey of tert-butyl N-[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]-2,3-dihydro-1,4-benzoxazin-8-yl]piperidin-4-yl]-N-methylcarbamate?
The InChIKey is MJIXHMFJJOZHGD-IBGZPJMESA-N. The full InChI is InChI=1S/C24H34N4O5/c1-24(2,3)33-23(31)26(4)16-10-12-27(13-11-16)17-6-5-7-18-21(17)32-15-14-28(18)19-8-9-20(29)25-22(19)30/h5-7,16,19H,8-15H2,1-4H3,(H,25,29,30)/t19-/m0/s1.
What are the key properties of tert-butyl N-[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]-2,3-dihydro-1,4-benzoxazin-8-yl]piperidin-4-yl]-N-methylcarbamate?
tert-butyl N-[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]-2,3-dihydro-1,4-benzoxazin-8-yl]piperidin-4-yl]-N-methylcarbamate has a molecular weight of 458.56 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]-2,3-dihydro-1,4-benzoxazin-8-yl]piperidin-4-yl]-N-methylcarbamate is sourced from PubChem (CID 170449913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).