benzyl N-[[3-(benzylideneamino)-2,6-dioxopiperidin-3-yl]methyl]carbamate

C21H21N3O4 — CID 58572171

IUPACbenzyl N-[[3-(benzylideneamino)-2,6-dioxopiperidin-3-yl]methyl]carbamate
SMILESO=C1CCC(CNC(=O)OCc2ccccc2)(/N=C/c2ccccc2)C(=O)N1
InChIInChI=1S/C21H21N3O4/c25-18-11-12-21(19(26)24-18,23-13-16-7-3-1-4-8-16)15-22-20(27)28-14-17-9-5-2-6-10-17/h1-10,13H,11-12,14-15H2,(H,22,27)(H,24,25,26)/b23-13+
InChIKeyGLESILNOYVNEOH-YDZHTSKRSA-N
MW379.42 g/mol
LogP2.21
Rot. Bonds6

About benzyl N-[[3-(benzylideneamino)-2,6-dioxopiperidin-3-yl]methyl]carbamate

benzyl N-[[3-(benzylideneamino)-2,6-dioxopiperidin-3-yl]methyl]carbamate (PubChem CID 58572171) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is benzyl N-[[3-(benzylideneamino)-2,6-dioxopiperidin-3-yl]methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[[3-(benzylideneamino)-2,6-dioxopiperidin-3-yl]methyl]carbamate
PubChem CID58572171
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Namebenzyl N-[[3-(benzylideneamino)-2,6-dioxopiperidin-3-yl]methyl]carbamate
SMILESO=C1CCC(CNC(=O)OCc2ccccc2)(/N=C/c2ccccc2)C(=O)N1
InChIInChI=1S/C21H21N3O4/c25-18-11-12-21(19(26)24-18,23-13-16-7-3-1-4-8-16)15-22-20(27)28-14-17-9-5-2-6-10-17/h1-10,13H,11-12,14-15H2,(H,22,27)(H,24,25,26)/b23-13+
InChIKeyGLESILNOYVNEOH-YDZHTSKRSA-N
XLogP2.21
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]carbamate
CID 139248273
benzyl N-[[3-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl]methyl]carbamate
CID 58572152
benzyl N-[(1-aminocycloheptyl)methyl]carbamate
CID 66523425
benzyl N-[(2S)-1-[[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 139248277
1-(phenylmethoxycarbonylaminomethyl)cyclopentane-1-carboxylic acid
CID 69223765
benzyl carbamate;piperidine-2,6-dione
CID 174491425
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-[(4-carbamoyl-1-bicyclo[2.2.2]octanyl)methyl]carbamate
CID 171157569
benzyl N-[3-(1-aminocyclopropyl)propyl]carbamate
CID 168763212
benzyl N-[(3-methylazetidin-3-yl)methyl]carbamate;hydrochloride
CID 131638009
methyl 4-(phenylmethoxycarbonylaminomethyl)piperidine-4-carboxylate
CID 131866293
benzyl N-[[1-(2-chloroacetyl)cyclohexyl]methyl]carbamate
CID 104701740

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[3-(benzylideneamino)-2,6-dioxopiperidin-3-yl]methyl]carbamate?
The IUPAC name of benzyl N-[[3-(benzylideneamino)-2,6-dioxopiperidin-3-yl]methyl]carbamate (CID 58572171) is benzyl N-[[3-(benzylideneamino)-2,6-dioxopiperidin-3-yl]methyl]carbamate.
What is the SMILES notation for benzyl N-[[3-(benzylideneamino)-2,6-dioxopiperidin-3-yl]methyl]carbamate?
The canonical SMILES for benzyl N-[[3-(benzylideneamino)-2,6-dioxopiperidin-3-yl]methyl]carbamate is O=C1CCC(CNC(=O)OCc2ccccc2)(/N=C/c2ccccc2)C(=O)N1.
What is the InChIKey of benzyl N-[[3-(benzylideneamino)-2,6-dioxopiperidin-3-yl]methyl]carbamate?
The InChIKey is GLESILNOYVNEOH-YDZHTSKRSA-N. The full InChI is InChI=1S/C21H21N3O4/c25-18-11-12-21(19(26)24-18,23-13-16-7-3-1-4-8-16)15-22-20(27)28-14-17-9-5-2-6-10-17/h1-10,13H,11-12,14-15H2,(H,22,27)(H,24,25,26)/b23-13+.
What are the key properties of benzyl N-[[3-(benzylideneamino)-2,6-dioxopiperidin-3-yl]methyl]carbamate?
benzyl N-[[3-(benzylideneamino)-2,6-dioxopiperidin-3-yl]methyl]carbamate has a molecular weight of 379.42 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[3-(benzylideneamino)-2,6-dioxopiperidin-3-yl]methyl]carbamate is sourced from PubChem (CID 58572171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).