methyl 3-[(2,6-dioxopiperidin-3-yl)carbamoyl]benzoate

C14H14N2O5 — CID 146129215

IUPACmethyl 3-[(2,6-dioxopiperidin-3-yl)carbamoyl]benzoate
SMILESCOC(=O)c1cccc(C(=O)NC2CCC(=O)NC2=O)c1
InChIInChI=1S/C14H14N2O5/c1-21-14(20)9-4-2-3-8(7-9)12(18)15-10-5-6-11(17)16-13(10)19/h2-4,7,10H,5-6H2,1H3,(H,15,18)(H,16,17,19)
InChIKeyCHPHBHVBUQZBOS-UHFFFAOYSA-N
MW290.28 g/mol
LogP0.01
Rot. Bonds3

About methyl 3-[(2,6-dioxopiperidin-3-yl)carbamoyl]benzoate

methyl 3-[(2,6-dioxopiperidin-3-yl)carbamoyl]benzoate (PubChem CID 146129215) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is methyl 3-[(2,6-dioxopiperidin-3-yl)carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[(2,6-dioxopiperidin-3-yl)carbamoyl]benzoate
PubChem CID146129215
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Namemethyl 3-[(2,6-dioxopiperidin-3-yl)carbamoyl]benzoate
SMILESCOC(=O)c1cccc(C(=O)NC2CCC(=O)NC2=O)c1
InChIInChI=1S/C14H14N2O5/c1-21-14(20)9-4-2-3-8(7-9)12(18)15-10-5-6-11(17)16-13(10)19/h2-4,7,10H,5-6H2,1H3,(H,15,18)(H,16,17,19)
InChIKeyCHPHBHVBUQZBOS-UHFFFAOYSA-N
XLogP0.01
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 156866709
N-(2,6-dioxopiperidin-3-yl)-3-phenylbenzamide
CID 138467355
N-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methoxybenzamide
CID 81285163
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide
CID 175838749
N-[(3R)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide
CID 165380137
4-chloro-N-[(3R)-2,6-dioxopiperidin-3-yl]benzamide
CID 2363882
2-cyclopropyl-N-(2,6-dioxopiperidin-3-yl)pyridine-4-carboxamide
CID 127816376
(2,6-dioxopiperidin-3-yl)carbamoyl 3-nitrobenzoate
CID 24993560
N-(2,6-dioxopiperidin-3-yl)-4-propylbenzamide
CID 168945690
methyl 3-[(1-methyl-5-oxopyrrolidin-3-yl)carbamoyl]benzoate
CID 60616666
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-hydroxybenzamide
CID 141087093
2-acetyl-N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 144714237

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2,6-dioxopiperidin-3-yl)carbamoyl]benzoate?
The IUPAC name of methyl 3-[(2,6-dioxopiperidin-3-yl)carbamoyl]benzoate (CID 146129215) is methyl 3-[(2,6-dioxopiperidin-3-yl)carbamoyl]benzoate.
What is the SMILES notation for methyl 3-[(2,6-dioxopiperidin-3-yl)carbamoyl]benzoate?
The canonical SMILES for methyl 3-[(2,6-dioxopiperidin-3-yl)carbamoyl]benzoate is COC(=O)c1cccc(C(=O)NC2CCC(=O)NC2=O)c1.
What is the InChIKey of methyl 3-[(2,6-dioxopiperidin-3-yl)carbamoyl]benzoate?
The InChIKey is CHPHBHVBUQZBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-21-14(20)9-4-2-3-8(7-9)12(18)15-10-5-6-11(17)16-13(10)19/h2-4,7,10H,5-6H2,1H3,(H,15,18)(H,16,17,19).
What are the key properties of methyl 3-[(2,6-dioxopiperidin-3-yl)carbamoyl]benzoate?
methyl 3-[(2,6-dioxopiperidin-3-yl)carbamoyl]benzoate has a molecular weight of 290.28 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2,6-dioxopiperidin-3-yl)carbamoyl]benzoate is sourced from PubChem (CID 146129215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).