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

C15H18N2O3 — CID 153393829

IUPAC2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-methylbenzaldehyde
SMILESCc1cccc(C=O)c1CN(C)C1CCC(=O)NC1=O
InChIInChI=1S/C15H18N2O3/c1-10-4-3-5-11(9-18)12(10)8-17(2)13-6-7-14(19)16-15(13)20/h3-5,9,13H,6-8H2,1-2H3,(H,16,19,20)
InChIKeyFKCBTYPOXRPKNY-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.04
Rot. Bonds4

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

2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-methylbenzaldehyde (PubChem CID 153393829) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-methylbenzaldehyde.

Molecular Properties

Compound Name2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-methylbenzaldehyde
PubChem CID153393829
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-methylbenzaldehyde
SMILESCc1cccc(C=O)c1CN(C)C1CCC(=O)NC1=O
InChIInChI=1S/C15H18N2O3/c1-10-4-3-5-11(9-18)12(10)8-17(2)13-6-7-14(19)16-15(13)20/h3-5,9,13H,6-8H2,1-2H3,(H,16,19,20)
InChIKeyFKCBTYPOXRPKNY-UHFFFAOYSA-N
XLogP1.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.04
H-Bond Donors ≤ 51
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

N-[2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-formylphenyl]propanamide;ethane
CID 153393794
N-(2,6-dioxopiperidin-3-yl)-N-[(2-fluoro-6-methylphenyl)methyl]formamide
CID 171641343
2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-[[(E)-2-methylbut-1-en-3-ynoxy]methylamino]benzaldehyde
CID 153393843
2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-(8-piperidin-1-yloctylsulfanyl)benzaldehyde
CID 166921342
3-[[4-[(dicyclopropylmethylamino)methyl]phenyl]methylsulfanyl]-2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]benzaldehyde
CID 166921030
2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-4-hydroxybenzaldehyde;ethane
CID 166469610
N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-6-(2-oxoethoxy)phenyl]methyl]formamide
CID 167470181
N-(2,6-dioxopiperidin-3-yl)-N-[(2-methylphenyl)methyl]formamide;ethane
CID 154670610
3-[[3-[[(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)methylamino]methyl]phenyl]methylsulfanyl]-2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]benzaldehyde
CID 166920927
N-(2,6-dioxopiperidin-3-yl)-N'-(2-formyl-3-methylphenyl)-N-methylethanimidamide
CID 145381971
5-cyclobutyloxy-2-methylbenzaldehyde;N-(2,6-dioxopiperidin-3-yl)-N-methylformamide;methanamine
CID 156711586
N-(4,8-dimethylnaphthalen-1-yl)-N-(2,6-dioxopiperidin-3-yl)formamide
CID 163259167

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-methylbenzaldehyde?
The IUPAC name of 2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-methylbenzaldehyde (CID 153393829) is 2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-methylbenzaldehyde.
What is the SMILES notation for 2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-methylbenzaldehyde?
The canonical SMILES for 2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-methylbenzaldehyde is Cc1cccc(C=O)c1CN(C)C1CCC(=O)NC1=O.
What is the InChIKey of 2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-methylbenzaldehyde?
The InChIKey is FKCBTYPOXRPKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10-4-3-5-11(9-18)12(10)8-17(2)13-6-7-14(19)16-15(13)20/h3-5,9,13H,6-8H2,1-2H3,(H,16,19,20).
What are the key properties of 2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-methylbenzaldehyde?
2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-methylbenzaldehyde has a molecular weight of 274.32 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-methylbenzaldehyde is sourced from PubChem (CID 153393829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).