2-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-6-methylbenzaldehyde

C14H16N2O3 — CID 146411159

IUPAC2-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-6-methylbenzaldehyde
SMILESCc1cccc(CNC2CCC(=O)NC2=O)c1C=O
InChIInChI=1S/C14H16N2O3/c1-9-3-2-4-10(11(9)8-17)7-15-12-5-6-13(18)16-14(12)19/h2-4,8,12,15H,5-7H2,1H3,(H,16,18,19)
InChIKeyQQFVTCOXGNNUSL-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.70
Rot. Bonds4

About 2-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-6-methylbenzaldehyde

2-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-6-methylbenzaldehyde (PubChem CID 146411159) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-6-methylbenzaldehyde.

Molecular Properties

Compound Name2-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-6-methylbenzaldehyde
PubChem CID146411159
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-6-methylbenzaldehyde
SMILESCc1cccc(CNC2CCC(=O)NC2=O)c1C=O
InChIInChI=1S/C14H16N2O3/c1-9-3-2-4-10(11(9)8-17)7-15-12-5-6-13(18)16-14(12)19/h2-4,8,12,15H,5-7H2,1H3,(H,16,18,19)
InChIKeyQQFVTCOXGNNUSL-UHFFFAOYSA-N
XLogP0.70
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-6-methoxybenzaldehyde
CID 139483413
3-[(2-chloro-3-fluorophenyl)methylamino]piperidine-2,6-dione
CID 112652138
2-[[[(3R)-2,6-dioxopiperidin-3-yl]amino]methyl]benzoic acid;hydrobromide
CID 162326588
2-[[[(3S)-2,6-dioxopiperidin-3-yl]amino]methyl]benzoic acid;hydrobromide
CID 162326587
3-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-2-fluorobenzonitrile
CID 107114657
2-[3-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-4-formylanilino]acetic acid
CID 163559845
4-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-5-methylfuran-2-carboxylic acid
CID 103255566
3-(1,3-benzodioxol-4-ylmethylamino)pyrrolidine-2,5-dione
CID 61211147
3-[(3-chloro-4-fluorophenyl)methylamino]piperidine-2,6-dione
CID 81146324
N-(2,6-dioxopiperidin-3-yl)-N-[(2-methylphenyl)methyl]formamide;ethane
CID 154670610
N-(2,6-dioxopiperidin-3-yl)-2-(2-methyl-1H-benzimidazol-4-yl)acetamide
CID 167431165
N-(2,6-dioxopiperidin-3-yl)-N'-(2-formyl-3-methylphenyl)-N-methylethanimidamide
CID 145381971

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-6-methylbenzaldehyde?
The IUPAC name of 2-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-6-methylbenzaldehyde (CID 146411159) is 2-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-6-methylbenzaldehyde.
What is the SMILES notation for 2-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-6-methylbenzaldehyde?
The canonical SMILES for 2-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-6-methylbenzaldehyde is Cc1cccc(CNC2CCC(=O)NC2=O)c1C=O.
What is the InChIKey of 2-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-6-methylbenzaldehyde?
The InChIKey is QQFVTCOXGNNUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9-3-2-4-10(11(9)8-17)7-15-12-5-6-13(18)16-14(12)19/h2-4,8,12,15H,5-7H2,1H3,(H,16,18,19).
What are the key properties of 2-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-6-methylbenzaldehyde?
2-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-6-methylbenzaldehyde has a molecular weight of 260.29 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-6-methylbenzaldehyde is sourced from PubChem (CID 146411159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).