1'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-7-hydroxyspiro[3H-chromene-2,4'-piperidine]-4-one

C22H21NO6 — CID 100759580

IUPAC1'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-7-hydroxyspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(C(=O)c3ccc4c(c3)OCCO4)CC2)Oc2cc(O)ccc21
InChIInChI=1S/C22H21NO6/c24-15-2-3-16-17(25)13-22(29-19(16)12-15)5-7-23(8-6-22)21(26)14-1-4-18-20(11-14)28-10-9-27-18/h1-4,11-12,24H,5-10,13H2
InChIKeyRXJAVPZEIKSGKU-UHFFFAOYSA-N
MW395.41 g/mol
LogP2.80
Rot. Bonds1

About 1'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-7-hydroxyspiro[3H-chromene-2,4'-piperidine]-4-one

1'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-7-hydroxyspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 100759580) has the molecular formula C22H21NO6 and a molecular weight of 395.41 g/mol. Its IUPAC name is 1'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-7-hydroxyspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-7-hydroxyspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID100759580
Molecular FormulaC22H21NO6
Molecular Weight395.41 g/mol
Exact Mass395.14
IUPAC Name1'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-7-hydroxyspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(C(=O)c3ccc4c(c3)OCCO4)CC2)Oc2cc(O)ccc21
InChIInChI=1S/C22H21NO6/c24-15-2-3-16-17(25)13-22(29-19(16)12-15)5-7-23(8-6-22)21(26)14-1-4-18-20(11-14)28-10-9-27-18/h1-4,11-12,24H,5-10,13H2
InChIKeyRXJAVPZEIKSGKU-UHFFFAOYSA-N
XLogP2.80
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-7-hydroxyspiro[3H-chromene-2,4'-piperidine]-4-one with MolForge

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Related Compounds

6-bromo-1'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 100760349
1'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)spiro[3H-chromene-2,4'-azepane]-4-one
CID 164700156
1'-(1,3-benzodioxole-5-carbonyl)-6-bromospiro[3H-chromene-2,4'-piperidine]-4-one
CID 100760343
1'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-7-hydroxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 100759644
tert-butyl 7-hydroxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate;ethane
CID 143029871
1'-benzoyl-6-bromospiro[3H-chromene-2,4'-piperidine]-4-one
CID 44770141
6-(pyrrolidine-1-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 69076705
2,3-dihydro-1,4-benzodioxin-6-yl(piperidin-1-yl)methanone
CID 2890
1'-(4-chlorobenzoyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 44769674
1'-[4-(dimethylamino)benzoyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735789
4-oxospiro[3H-chromene-2,4'-piperidine]-1',6-dicarboxylic acid
CID 66782544
1'-benzoyl-6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one
CID 125498789

Frequently Asked Questions

What is the IUPAC name of 1'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-7-hydroxyspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-7-hydroxyspiro[3H-chromene-2,4'-piperidine]-4-one (CID 100759580) is 1'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-7-hydroxyspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-7-hydroxyspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-7-hydroxyspiro[3H-chromene-2,4'-piperidine]-4-one is O=C1CC2(CCN(C(=O)c3ccc4c(c3)OCCO4)CC2)Oc2cc(O)ccc21.
What is the InChIKey of 1'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-7-hydroxyspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is RXJAVPZEIKSGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO6/c24-15-2-3-16-17(25)13-22(29-19(16)12-15)5-7-23(8-6-22)21(26)14-1-4-18-20(11-14)28-10-9-27-18/h1-4,11-12,24H,5-10,13H2.
What are the key properties of 1'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-7-hydroxyspiro[3H-chromene-2,4'-piperidine]-4-one?
1'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-7-hydroxyspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 395.41 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-7-hydroxyspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 100759580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).