1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-ylmethylamino)ethyl]-4,4-dimethylpiperidine-2,6-dione

C17H23N3O4 — CID 139626486

IUPAC1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-ylmethylamino)ethyl]-4,4-dimethylpiperidine-2,6-dione
SMILESCC(NCC1COc2cccnc2O1)N1C(=O)CC(C)(C)CC1=O
InChIInChI=1S/C17H23N3O4/c1-11(20-14(21)7-17(2,3)8-15(20)22)19-9-12-10-23-13-5-4-6-18-16(13)24-12/h4-6,11-12,19H,7-10H2,1-3H3
InChIKeyBXMHERFDMTTXNH-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.33
Rot. Bonds4

About 1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-ylmethylamino)ethyl]-4,4-dimethylpiperidine-2,6-dione

1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-ylmethylamino)ethyl]-4,4-dimethylpiperidine-2,6-dione (PubChem CID 139626486) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-ylmethylamino)ethyl]-4,4-dimethylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-ylmethylamino)ethyl]-4,4-dimethylpiperidine-2,6-dione
PubChem CID139626486
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-ylmethylamino)ethyl]-4,4-dimethylpiperidine-2,6-dione
SMILESCC(NCC1COc2cccnc2O1)N1C(=O)CC(C)(C)CC1=O
InChIInChI=1S/C17H23N3O4/c1-11(20-14(21)7-17(2,3)8-15(20)22)19-9-12-10-23-13-5-4-6-18-16(13)24-12/h4-6,11-12,19H,7-10H2,1-3H3
InChIKeyBXMHERFDMTTXNH-UHFFFAOYSA-N
XLogP1.33
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-ylmethylamino)ethyl]-4,4-dimethylpiperidine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-ylmethanol;methanesulfonic acid
CID 22020969
2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-ylmethanol;hydrochloride
CID 119032041
1-[3-[[(3S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl]methylamino]propyl]-1,3-diazinane-2,4-dione
CID 69256990
1-[3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-ylmethylamino)propyl]pyrimidine-2,4-dione
CID 69255836
1-[(3S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl]-N-[[4-(1,1,1-trifluoro-3-methylsulfonylpropan-2-yl)phenyl]methyl]methanamine;hydrochloride
CID 159049336
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-pyridin-3-ylethanamine
CID 43204657
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine
CID 64988585
(1R)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenylethanamine
CID 155091223
3-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl)-2-ethylidenepent-3-enyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 123405487
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrimidin-2-amine
CID 3403878
4-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)ethyl]phenol
CID 43204652
1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-[[2-(dimethylamino)-3-pyridinyl]methyl]urea
CID 94027737

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-ylmethylamino)ethyl]-4,4-dimethylpiperidine-2,6-dione?
The IUPAC name of 1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-ylmethylamino)ethyl]-4,4-dimethylpiperidine-2,6-dione (CID 139626486) is 1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-ylmethylamino)ethyl]-4,4-dimethylpiperidine-2,6-dione.
What is the SMILES notation for 1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-ylmethylamino)ethyl]-4,4-dimethylpiperidine-2,6-dione?
The canonical SMILES for 1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-ylmethylamino)ethyl]-4,4-dimethylpiperidine-2,6-dione is CC(NCC1COc2cccnc2O1)N1C(=O)CC(C)(C)CC1=O.
What is the InChIKey of 1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-ylmethylamino)ethyl]-4,4-dimethylpiperidine-2,6-dione?
The InChIKey is BXMHERFDMTTXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-11(20-14(21)7-17(2,3)8-15(20)22)19-9-12-10-23-13-5-4-6-18-16(13)24-12/h4-6,11-12,19H,7-10H2,1-3H3.
What are the key properties of 1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-ylmethylamino)ethyl]-4,4-dimethylpiperidine-2,6-dione?
1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-ylmethylamino)ethyl]-4,4-dimethylpiperidine-2,6-dione has a molecular weight of 333.39 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-ylmethylamino)ethyl]-4,4-dimethylpiperidine-2,6-dione is sourced from PubChem (CID 139626486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).