3-[4-(2-aminoethoxy)-N,2-dimethylanilino]piperidine-2,6-dione

C15H21N3O3 — CID 176968224

IUPAC3-[4-(2-aminoethoxy)-N,2-dimethylanilino]piperidine-2,6-dione
SMILESCc1cc(OCCN)ccc1N(C)C1CCC(=O)NC1=O
InChIInChI=1S/C15H21N3O3/c1-10-9-11(21-8-7-16)3-4-12(10)18(2)13-5-6-14(19)17-15(13)20/h3-4,9,13H,5-8,16H2,1-2H3,(H,17,19,20)
InChIKeyZQOAUCKZROLUEP-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.57
Rot. Bonds5

About 3-[4-(2-aminoethoxy)-N,2-dimethylanilino]piperidine-2,6-dione

3-[4-(2-aminoethoxy)-N,2-dimethylanilino]piperidine-2,6-dione (PubChem CID 176968224) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[4-(2-aminoethoxy)-N,2-dimethylanilino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-(2-aminoethoxy)-N,2-dimethylanilino]piperidine-2,6-dione
PubChem CID176968224
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-[4-(2-aminoethoxy)-N,2-dimethylanilino]piperidine-2,6-dione
SMILESCc1cc(OCCN)ccc1N(C)C1CCC(=O)NC1=O
InChIInChI=1S/C15H21N3O3/c1-10-9-11(21-8-7-16)3-4-12(10)18(2)13-5-6-14(19)17-15(13)20/h3-4,9,13H,5-8,16H2,1-2H3,(H,17,19,20)
InChIKeyZQOAUCKZROLUEP-UHFFFAOYSA-N
XLogP0.57
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[4-(2-aminoethoxy)-N,2-dimethylanilino]piperidine-2,6-dione;butanal;ethane
CID 176968223
3-(N,2-dimethyl-4-piperidin-4-ylanilino)piperidine-2,6-dione
CID 167470469
N-[2-[(2,6-dioxopiperidin-3-yl)-methylamino]-5-ethylphenyl]-N-methylformamide
CID 156836959
5-cyclobutyloxy-2-methylbenzaldehyde;N-(2,6-dioxopiperidin-3-yl)-N-methylformamide;methanamine
CID 156711586
4-(2-aminoethoxy)-2-methylaniline
CID 15870804
N-(4-bromo-2-methylphenyl)-N-(2,6-dioxopiperidin-3-yl)butanamide
CID 176968593
3-[3-(4-aminobutoxy)phenyl]piperidine-2,6-dione
CID 164540943
N-(4-bromo-2-methylphenyl)-N-(2,6-dioxopiperidin-3-yl)butanamide;ethane
CID 176968592
5-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
CID 169449996
4-(2-aminoethoxy)-2-methylaniline;dihydrochloride
CID 164607051
N-(2,3-dimethoxy-4-methylphenyl)-N-(2,6-dioxopiperidin-3-yl)formamide
CID 177010821
4-(azetidin-3-ylmethoxy)-N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methylbenzamide
CID 166694940

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-aminoethoxy)-N,2-dimethylanilino]piperidine-2,6-dione?
The IUPAC name of 3-[4-(2-aminoethoxy)-N,2-dimethylanilino]piperidine-2,6-dione (CID 176968224) is 3-[4-(2-aminoethoxy)-N,2-dimethylanilino]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-(2-aminoethoxy)-N,2-dimethylanilino]piperidine-2,6-dione?
The canonical SMILES for 3-[4-(2-aminoethoxy)-N,2-dimethylanilino]piperidine-2,6-dione is Cc1cc(OCCN)ccc1N(C)C1CCC(=O)NC1=O.
What is the InChIKey of 3-[4-(2-aminoethoxy)-N,2-dimethylanilino]piperidine-2,6-dione?
The InChIKey is ZQOAUCKZROLUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10-9-11(21-8-7-16)3-4-12(10)18(2)13-5-6-14(19)17-15(13)20/h3-4,9,13H,5-8,16H2,1-2H3,(H,17,19,20).
What are the key properties of 3-[4-(2-aminoethoxy)-N,2-dimethylanilino]piperidine-2,6-dione?
3-[4-(2-aminoethoxy)-N,2-dimethylanilino]piperidine-2,6-dione has a molecular weight of 291.35 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-aminoethoxy)-N,2-dimethylanilino]piperidine-2,6-dione is sourced from PubChem (CID 176968224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).