(2-methoxyphenyl)-(8-methoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)methanone

C21H23NO5 — CID 126474598

IUPAC(2-methoxyphenyl)-(8-methoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)methanone
SMILESCOc1ccccc1C(=O)N1CCC2(CC1)OCc1cccc(OC)c1O2
InChIInChI=1S/C21H23NO5/c1-24-17-8-4-3-7-16(17)20(23)22-12-10-21(11-13-22)26-14-15-6-5-9-18(25-2)19(15)27-21/h3-9H,10-14H2,1-2H3
InChIKeySTZHOKHTQIEWLP-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.25
Rot. Bonds3

About (2-methoxyphenyl)-(8-methoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)methanone

(2-methoxyphenyl)-(8-methoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)methanone (PubChem CID 126474598) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is (2-methoxyphenyl)-(8-methoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-(8-methoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)methanone
PubChem CID126474598
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name(2-methoxyphenyl)-(8-methoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)methanone
SMILESCOc1ccccc1C(=O)N1CCC2(CC1)OCc1cccc(OC)c1O2
InChIInChI=1S/C21H23NO5/c1-24-17-8-4-3-7-16(17)20(23)22-12-10-21(11-13-22)26-14-15-6-5-9-18(25-2)19(15)27-21/h3-9H,10-14H2,1-2H3
InChIKeySTZHOKHTQIEWLP-UHFFFAOYSA-N
XLogP3.25
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyphenyl)-1-(8-methoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)ethanone
CID 126471836
(2-methoxyphenyl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone
CID 56764624
(4-hydroxy-4-methylazepan-1-yl)-(2-methoxyphenyl)methanone
CID 107406615
8-methoxy-2,2-dimethyl-4H-1,3-benzodioxine
CID 70446962
[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2-methoxyphenyl)methanone
CID 125000712
tert-butyl 6-bromo-8-methoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate
CID 135125229
(2-chlorophenyl)-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
CID 135098887
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-ethoxyphenyl)methanone
CID 17250136
(1,1-dioxo-1,4-thiazinan-4-yl)-(2-methoxyphenyl)methanone
CID 110721382
(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 5149560
4-(3-fluorophenyl)-9-(2-methoxybenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155986050
(3-hydroxy-4,4-dimethylpiperidin-1-yl)-(2-methoxyphenyl)methanone
CID 115269834

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-(8-methoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)methanone?
The IUPAC name of (2-methoxyphenyl)-(8-methoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)methanone (CID 126474598) is (2-methoxyphenyl)-(8-methoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for (2-methoxyphenyl)-(8-methoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for (2-methoxyphenyl)-(8-methoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)methanone is COc1ccccc1C(=O)N1CCC2(CC1)OCc1cccc(OC)c1O2.
What is the InChIKey of (2-methoxyphenyl)-(8-methoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)methanone?
The InChIKey is STZHOKHTQIEWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-24-17-8-4-3-7-16(17)20(23)22-12-10-21(11-13-22)26-14-15-6-5-9-18(25-2)19(15)27-21/h3-9H,10-14H2,1-2H3.
What are the key properties of (2-methoxyphenyl)-(8-methoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)methanone?
(2-methoxyphenyl)-(8-methoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)methanone has a molecular weight of 369.42 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-(8-methoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 126474598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).