1-(5-hydroxy-2-morpholin-4-ylspiro[2H-1,4-benzodioxine-3,1'-cyclohexane]-6-yl)ethanone

C19H25NO5 — CID 101374742

IUPAC1-(5-hydroxy-2-morpholin-4-ylspiro[2H-1,4-benzodioxine-3,1'-cyclohexane]-6-yl)ethanone
SMILESCC(=O)c1ccc2c(c1O)OC1(CCCCC1)C(N1CCOCC1)O2
InChIInChI=1S/C19H25NO5/c1-13(21)14-5-6-15-17(16(14)22)25-19(7-3-2-4-8-19)18(24-15)20-9-11-23-12-10-20/h5-6,18,22H,2-4,7-12H2,1H3
InChIKeyXWIABLLKKCPTSC-UHFFFAOYSA-N
MW347.41 g/mol
LogP2.73
Rot. Bonds2

About 1-(5-hydroxy-2-morpholin-4-ylspiro[2H-1,4-benzodioxine-3,1'-cyclohexane]-6-yl)ethanone

1-(5-hydroxy-2-morpholin-4-ylspiro[2H-1,4-benzodioxine-3,1'-cyclohexane]-6-yl)ethanone (PubChem CID 101374742) has the molecular formula C19H25NO5 and a molecular weight of 347.41 g/mol. Its IUPAC name is 1-(5-hydroxy-2-morpholin-4-ylspiro[2H-1,4-benzodioxine-3,1'-cyclohexane]-6-yl)ethanone.

Molecular Properties

Compound Name1-(5-hydroxy-2-morpholin-4-ylspiro[2H-1,4-benzodioxine-3,1'-cyclohexane]-6-yl)ethanone
PubChem CID101374742
Molecular FormulaC19H25NO5
Molecular Weight347.41 g/mol
Exact Mass347.17
IUPAC Name1-(5-hydroxy-2-morpholin-4-ylspiro[2H-1,4-benzodioxine-3,1'-cyclohexane]-6-yl)ethanone
SMILESCC(=O)c1ccc2c(c1O)OC1(CCCCC1)C(N1CCOCC1)O2
InChIInChI=1S/C19H25NO5/c1-13(21)14-5-6-15-17(16(14)22)25-19(7-3-2-4-8-19)18(24-15)20-9-11-23-12-10-20/h5-6,18,22H,2-4,7-12H2,1H3
InChIKeyXWIABLLKKCPTSC-UHFFFAOYSA-N
XLogP2.73
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(5-hydroxy-2-morpholin-4-ylspiro[2H-1,4-benzodioxine-3,1'-cyclohexane]-6-yl)ethanone with MolForge

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Related Compounds

[2-(1-hydroxycyclohexyl)phenyl]-morpholin-4-ylmethanone
CID 141436193
1-[2-(2-morpholin-4-ylcyclohexyl)oxyphenyl]ethanone
CID 82037392
(E)-3-[(3R,4R)-3,5-dihydroxy-2,2-dimethyl-4-morpholin-4-yl-3,4-dihydrochromen-6-yl]-1-morpholin-4-ylprop-2-en-1-one
CID 7108024
(9-hydroxy-1-methylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclohexane]-2-yl)-morpholin-4-ylmethanone
CID 20916486
1-(4-amino-2-morpholin-4-ylphenyl)ethanone
CID 134460637
(5aS,10aS)-5a-morpholin-4-yl-6,7,8,9,10,10a-hexahydrocyclohepta[b][1]benzofuran-2-ol
CID 95561849
1-[2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanone
CID 63170469
1-(4-morpholin-4-yl-3-pyridinyl)ethanone
CID 83882794
[4-(2-methylbenzoyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone
CID 71955902
1-(6-cyclopropyl-2-morpholin-4-yl-3-pyridinyl)ethanone
CID 126497930
1-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]cyclohexane-1-carboxamide
CID 119283363
(2-methyl-1,3-benzodioxol-5-yl)-piperidin-1-ylmethanone
CID 11701530

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-2-morpholin-4-ylspiro[2H-1,4-benzodioxine-3,1'-cyclohexane]-6-yl)ethanone?
The IUPAC name of 1-(5-hydroxy-2-morpholin-4-ylspiro[2H-1,4-benzodioxine-3,1'-cyclohexane]-6-yl)ethanone (CID 101374742) is 1-(5-hydroxy-2-morpholin-4-ylspiro[2H-1,4-benzodioxine-3,1'-cyclohexane]-6-yl)ethanone.
What is the SMILES notation for 1-(5-hydroxy-2-morpholin-4-ylspiro[2H-1,4-benzodioxine-3,1'-cyclohexane]-6-yl)ethanone?
The canonical SMILES for 1-(5-hydroxy-2-morpholin-4-ylspiro[2H-1,4-benzodioxine-3,1'-cyclohexane]-6-yl)ethanone is CC(=O)c1ccc2c(c1O)OC1(CCCCC1)C(N1CCOCC1)O2.
What is the InChIKey of 1-(5-hydroxy-2-morpholin-4-ylspiro[2H-1,4-benzodioxine-3,1'-cyclohexane]-6-yl)ethanone?
The InChIKey is XWIABLLKKCPTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO5/c1-13(21)14-5-6-15-17(16(14)22)25-19(7-3-2-4-8-19)18(24-15)20-9-11-23-12-10-20/h5-6,18,22H,2-4,7-12H2,1H3.
What are the key properties of 1-(5-hydroxy-2-morpholin-4-ylspiro[2H-1,4-benzodioxine-3,1'-cyclohexane]-6-yl)ethanone?
1-(5-hydroxy-2-morpholin-4-ylspiro[2H-1,4-benzodioxine-3,1'-cyclohexane]-6-yl)ethanone has a molecular weight of 347.41 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-2-morpholin-4-ylspiro[2H-1,4-benzodioxine-3,1'-cyclohexane]-6-yl)ethanone is sourced from PubChem (CID 101374742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).