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

C14H16N2O4 — CID 139248273

IUPACbenzyl N-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]carbamate
SMILESC[C@@]1(NC(=O)OCc2ccccc2)CCC(=O)NC1=O
InChIInChI=1S/C14H16N2O4/c1-14(8-7-11(17)15-12(14)18)16-13(19)20-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,16,19)(H,15,17,18)/t14-/m1/s1
InChIKeyYCONTJVZSJAVSK-CQSZACIVSA-N
MW276.29 g/mol
LogP1.11
Rot. Bonds3

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

benzyl N-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]carbamate (PubChem CID 139248273) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is benzyl N-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]carbamate
PubChem CID139248273
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Namebenzyl N-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]carbamate
SMILESC[C@@]1(NC(=O)OCc2ccccc2)CCC(=O)NC1=O
InChIInChI=1S/C14H16N2O4/c1-14(8-7-11(17)15-12(14)18)16-13(19)20-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,16,19)(H,15,17,18)/t14-/m1/s1
InChIKeyYCONTJVZSJAVSK-CQSZACIVSA-N
XLogP1.11
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[(2S)-1-[[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 139248277
benzyl N-(1,6-dimethyl-2,3-dihydroinden-1-yl)carbamate
CID 145156063
benzyl N-[[3-(benzylideneamino)-2,6-dioxopiperidin-3-yl]methyl]carbamate
CID 58572171
benzyl N-(3,4,4,5,5-pentamethyl-2,6-dioxopiperidin-3-yl)carbamate
CID 58525708
benzyl N-[[3-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl]methyl]carbamate
CID 58572152
benzyl N-[(3R)-3-methylazepan-3-yl]carbamate
CID 175203765
benzyl N-[(3R)-1-(3-aminopropyl)-3-methyl-2-oxopyrrolidin-3-yl]carbamate
CID 23626669
benzyl N-(3-oxo-2-azabicyclo[2.2.1]heptan-4-yl)carbamate
CID 171107393
2-[4-methyl-4-(phenylmethoxycarbonylamino)piperidin-1-yl]-2-oxoacetic acid
CID 66741713
ethyl 3-oxo-3-[1-(phenylmethoxycarbonylamino)cyclopropyl]propanoate
CID 134181852
benzyl N-[(1S)-2-hydroxy-1-methylcyclopentyl]carbamate
CID 57287930
2-[[2-methyl-5-oxo-1-(phenylmethoxycarbonylamino)pyrrolidine-2-carbonyl]amino]acetic acid
CID 102171907

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]carbamate?
The IUPAC name of benzyl N-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]carbamate (CID 139248273) is benzyl N-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]carbamate.
What is the SMILES notation for benzyl N-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]carbamate?
The canonical SMILES for benzyl N-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]carbamate is C[C@@]1(NC(=O)OCc2ccccc2)CCC(=O)NC1=O.
What is the InChIKey of benzyl N-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]carbamate?
The InChIKey is YCONTJVZSJAVSK-CQSZACIVSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-14(8-7-11(17)15-12(14)18)16-13(19)20-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,16,19)(H,15,17,18)/t14-/m1/s1.
What are the key properties of benzyl N-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]carbamate?
benzyl N-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]carbamate has a molecular weight of 276.29 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]carbamate is sourced from PubChem (CID 139248273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).