1-(2-methoxyethyl)-3,3-dimethylspiro[piperidine-2,3'-pyrido[3,2-f][1,4]benzoxazine]

C20H25N3O2 — CID 139765437

IUPAC1-(2-methoxyethyl)-3,3-dimethylspiro[piperidine-2,3'-pyrido[3,2-f][1,4]benzoxazine]
SMILESCOCCN1CCCC(C)(C)C12C=Nc1c(ccc3ncccc13)O2
InChIInChI=1S/C20H25N3O2/c1-19(2)9-5-11-23(12-13-24-3)20(19)14-22-18-15-6-4-10-21-16(15)7-8-17(18)25-20/h4,6-8,10,14H,5,9,11-13H2,1-3H3
InChIKeyDMFHJOOTBMBZLT-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.79
Rot. Bonds3

About 1-(2-methoxyethyl)-3,3-dimethylspiro[piperidine-2,3'-pyrido[3,2-f][1,4]benzoxazine]

1-(2-methoxyethyl)-3,3-dimethylspiro[piperidine-2,3'-pyrido[3,2-f][1,4]benzoxazine] (PubChem CID 139765437) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3,3-dimethylspiro[piperidine-2,3'-pyrido[3,2-f][1,4]benzoxazine].

Molecular Properties

Compound Name1-(2-methoxyethyl)-3,3-dimethylspiro[piperidine-2,3'-pyrido[3,2-f][1,4]benzoxazine]
PubChem CID139765437
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-(2-methoxyethyl)-3,3-dimethylspiro[piperidine-2,3'-pyrido[3,2-f][1,4]benzoxazine]
SMILESCOCCN1CCCC(C)(C)C12C=Nc1c(ccc3ncccc13)O2
InChIInChI=1S/C20H25N3O2/c1-19(2)9-5-11-23(12-13-24-3)20(19)14-22-18-15-6-4-10-21-16(15)7-8-17(18)25-20/h4,6-8,10,14H,5,9,11-13H2,1-3H3
InChIKeyDMFHJOOTBMBZLT-UHFFFAOYSA-N
XLogP3.79
TPSA46.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2-methoxyethyl)-3,3-dimethylspiro[piperidine-2,3'-pyrido[3,2-f][1,4]benzoxazine] with MolForge

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Related Compounds

1-[5-(3,3-dimethylspiro[piperidine-2,3'-pyrido[3,2-f][1,4]benzoxazine]-1-yl)pentyl]-3,3-dimethylspiro[piperidine-2,3'-pyrido[3,2-f][1,4]benzoxazine]
CID 139765433
(2S)-5-methoxy-1,3,3-trimethylspiro[indole-2,3'-pyrido[3,2-f][1,4]benzoxazine]
CID 1206759
(2R)-1,1,3-trimethylspiro[benzo[e]indole-2,3'-pyrido[3,2-f][1,4]benzoxazine]
CID 6990035
9'-methoxy-1,3,3-trimethylspiro[indole-2,3'-pyrido[3,2-f][1,4]benzoxazine]
CID 139758445
6-(2,3-dihydroindol-1-yl)-1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-pyrrolo[2,3-b]pyridine]
CID 14228351
1,1,3-trimethylspiro[benzo[e]indole-2,3'-benzo[f][1,4]benzoxazine]
CID 23238742
(3S)-3-hydroxy-1-(2-methoxyethyl)-3-[[methyl(quinolin-6-ylmethyl)amino]methyl]piperidin-2-one
CID 95188478
1-(2-cyclohexylethyl)-3,3-dimethylspiro[indole-2,3'-pyrido[3,4-f][1,4]benzoxazine]
CID 139835024
1-(3-methoxy-2-pyridinyl)-4-methylazepan-4-ol
CID 107407374
6'-(bromomethyl)-1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]
CID 44540727
6-N-[2-[2-methoxyethyl(methyl)amino]ethyl]quinoline-5,6-diamine
CID 62844494
(2R)-1,3,3,7'-tetramethylspiro[indole-2,3'-pyrido[3,2-f][1,4]benzoxazin-7-ium]
CID 139200847

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3,3-dimethylspiro[piperidine-2,3'-pyrido[3,2-f][1,4]benzoxazine]?
The IUPAC name of 1-(2-methoxyethyl)-3,3-dimethylspiro[piperidine-2,3'-pyrido[3,2-f][1,4]benzoxazine] (CID 139765437) is 1-(2-methoxyethyl)-3,3-dimethylspiro[piperidine-2,3'-pyrido[3,2-f][1,4]benzoxazine].
What is the SMILES notation for 1-(2-methoxyethyl)-3,3-dimethylspiro[piperidine-2,3'-pyrido[3,2-f][1,4]benzoxazine]?
The canonical SMILES for 1-(2-methoxyethyl)-3,3-dimethylspiro[piperidine-2,3'-pyrido[3,2-f][1,4]benzoxazine] is COCCN1CCCC(C)(C)C12C=Nc1c(ccc3ncccc13)O2.
What is the InChIKey of 1-(2-methoxyethyl)-3,3-dimethylspiro[piperidine-2,3'-pyrido[3,2-f][1,4]benzoxazine]?
The InChIKey is DMFHJOOTBMBZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-19(2)9-5-11-23(12-13-24-3)20(19)14-22-18-15-6-4-10-21-16(15)7-8-17(18)25-20/h4,6-8,10,14H,5,9,11-13H2,1-3H3.
What are the key properties of 1-(2-methoxyethyl)-3,3-dimethylspiro[piperidine-2,3'-pyrido[3,2-f][1,4]benzoxazine]?
1-(2-methoxyethyl)-3,3-dimethylspiro[piperidine-2,3'-pyrido[3,2-f][1,4]benzoxazine] has a molecular weight of 339.44 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3,3-dimethylspiro[piperidine-2,3'-pyrido[3,2-f][1,4]benzoxazine] is sourced from PubChem (CID 139765437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).