N-(2,6-dioxopiperidin-3-yl)-2-formyl-4-hydroxy-N-methylbenzamide

C14H14N2O5 — CID 142367681

IUPACN-(2,6-dioxopiperidin-3-yl)-2-formyl-4-hydroxy-N-methylbenzamide
SMILESCN(C(=O)c1ccc(O)cc1C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C14H14N2O5/c1-16(11-4-5-12(19)15-13(11)20)14(21)10-3-2-9(18)6-8(10)7-17/h2-3,6-7,11,18H,4-5H2,1H3,(H,15,19,20)
InChIKeyRGCFYBRTXVNKGL-UHFFFAOYSA-N
MW290.27 g/mol
LogP0.08
Rot. Bonds3

About N-(2,6-dioxopiperidin-3-yl)-2-formyl-4-hydroxy-N-methylbenzamide

N-(2,6-dioxopiperidin-3-yl)-2-formyl-4-hydroxy-N-methylbenzamide (PubChem CID 142367681) has the molecular formula C14H14N2O5 and a molecular weight of 290.27 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-2-formyl-4-hydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-2-formyl-4-hydroxy-N-methylbenzamide
PubChem CID142367681
Molecular FormulaC14H14N2O5
Molecular Weight290.27 g/mol
Exact Mass290.09
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-2-formyl-4-hydroxy-N-methylbenzamide
SMILESCN(C(=O)c1ccc(O)cc1C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C14H14N2O5/c1-16(11-4-5-12(19)15-13(11)20)14(21)10-3-2-9(18)6-8(10)7-17/h2-3,6-7,11,18H,4-5H2,1H3,(H,15,19,20)
InChIKeyRGCFYBRTXVNKGL-UHFFFAOYSA-N
XLogP0.08
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(azetidin-3-ylmethoxy)-N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methylbenzamide
CID 166694940
2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-4-hydroxybenzaldehyde;ethane
CID 166469610
2-[2-[4-[(2,6-dioxopiperidin-3-yl)-methylcarbamoyl]-3-formylphenyl]-2,7-diazaspiro[3.5]nonan-7-yl]acetic acid
CID 166831880
N-(2,6-dioxopiperidin-3-yl)-4-fluoro-2-formyl-N-methyl-5-(4-piperidin-4-ylpiperidin-1-yl)benzamide
CID 167091351
1-N-(cyclohexylmethyl)-3-N-(2,6-dioxopiperidin-3-yl)-4-formyl-3-N-methylbenzene-1,3-dicarboxamide
CID 167275653
N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-5-[3-(2-oxoethyl)pyrrolidin-1-yl]benzamide
CID 174298906
tert-butyl 1-[[1-[4-[(2,6-dioxopiperidin-3-yl)-methylcarbamoyl]-3-formylphenyl]pyrrolidin-3-yl]methyl]piperidine-4-carboxylate
CID 167190482
5-[4-[[4-(4-aminophenyl)piperazin-1-yl]methyl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methylbenzamide
CID 176966871
N-(2,6-dioxopiperidin-3-yl)-2-formyl-6-(5-hydroxypentyl)-N-methylbenzamide
CID 170109243
3-N-(2,6-dioxopiperidin-3-yl)-4-formyl-1-N-[[4-[[[2-(2-methoxyphenyl)acetyl]amino]methyl]phenyl]methyl]-3-N-methylbenzene-1,3-dicarboxamide
CID 167275625
N-(2,6-dioxopiperidin-3-yl)-N-formyl-2,4-dimethylbenzamide;ethane
CID 170953386
4-[4-[[1-[2-[4-[[2-(4-bromophenyl)-6-hydroxy-1-benzothiophen-3-yl]oxy]phenoxy]ethyl]piperidin-4-yl]methyl]piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methylbenzamide;propane
CID 142407719

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-2-formyl-4-hydroxy-N-methylbenzamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-2-formyl-4-hydroxy-N-methylbenzamide (CID 142367681) is N-(2,6-dioxopiperidin-3-yl)-2-formyl-4-hydroxy-N-methylbenzamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-2-formyl-4-hydroxy-N-methylbenzamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-2-formyl-4-hydroxy-N-methylbenzamide is CN(C(=O)c1ccc(O)cc1C=O)C1CCC(=O)NC1=O.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-2-formyl-4-hydroxy-N-methylbenzamide?
The InChIKey is RGCFYBRTXVNKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-16(11-4-5-12(19)15-13(11)20)14(21)10-3-2-9(18)6-8(10)7-17/h2-3,6-7,11,18H,4-5H2,1H3,(H,15,19,20).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-2-formyl-4-hydroxy-N-methylbenzamide?
N-(2,6-dioxopiperidin-3-yl)-2-formyl-4-hydroxy-N-methylbenzamide has a molecular weight of 290.27 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-2-formyl-4-hydroxy-N-methylbenzamide is sourced from PubChem (CID 142367681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).