1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(oxan-4-yl)ethanone

C15H25NO4 — CID 110156326

IUPAC1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(oxan-4-yl)ethanone
SMILESO=C(CC1CCOCC1)N1CC[C@@]2(CCCO2)[C@@H](O)C1
InChIInChI=1S/C15H25NO4/c17-13-11-16(6-5-15(13)4-1-7-20-15)14(18)10-12-2-8-19-9-3-12/h12-13,17H,1-11H2/t13-,15-/m0/s1
InChIKeyXZJGPIMXNQXLCV-ZFWWWQNUSA-N
MW283.37 g/mol
LogP0.95
Rot. Bonds2

About 1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(oxan-4-yl)ethanone

1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(oxan-4-yl)ethanone (PubChem CID 110156326) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(oxan-4-yl)ethanone
PubChem CID110156326
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(oxan-4-yl)ethanone
SMILESO=C(CC1CCOCC1)N1CC[C@@]2(CCCO2)[C@@H](O)C1
InChIInChI=1S/C15H25NO4/c17-13-11-16(6-5-15(13)4-1-7-20-15)14(18)10-12-2-8-19-9-3-12/h12-13,17H,1-11H2/t13-,15-/m0/s1
InChIKeyXZJGPIMXNQXLCV-ZFWWWQNUSA-N
XLogP0.95
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(oxan-4-yl)ethanone with MolForge

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Related Compounds

2-cyclopropyl-1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
CID 110159211
4-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-4-oxobutanoic acid
CID 110155869
3-(4-chlorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one
CID 110156871
2-(3-chlorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 110159723
1-(4-tert-butylpiperazin-1-yl)-2-(oxan-4-yl)ethanone
CID 129268223
(4-ethylphenyl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 110159527
(3,5-difluorophenyl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 110159606
1-[4-(aminomethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
CID 175660425
[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,2-oxazol-3-yl)methanone
CID 110155802
(4-ethylthiadiazol-5-yl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 110156524
[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(4-methoxyphenyl)methanone
CID 110156366
(3,5-dimethyl-1,2-oxazol-4-yl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 110159487

Frequently Asked Questions

What is the IUPAC name of 1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(oxan-4-yl)ethanone?
The IUPAC name of 1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(oxan-4-yl)ethanone (CID 110156326) is 1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(oxan-4-yl)ethanone.
What is the SMILES notation for 1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(oxan-4-yl)ethanone?
The canonical SMILES for 1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(oxan-4-yl)ethanone is O=C(CC1CCOCC1)N1CC[C@@]2(CCCO2)[C@@H](O)C1.
What is the InChIKey of 1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(oxan-4-yl)ethanone?
The InChIKey is XZJGPIMXNQXLCV-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H25NO4/c17-13-11-16(6-5-15(13)4-1-7-20-15)14(18)10-12-2-8-19-9-3-12/h12-13,17H,1-11H2/t13-,15-/m0/s1.
What are the key properties of 1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(oxan-4-yl)ethanone?
1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(oxan-4-yl)ethanone has a molecular weight of 283.37 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(oxan-4-yl)ethanone is sourced from PubChem (CID 110156326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).