[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methoxyphenyl)methanone

C16H21NO4 — CID 110156370

IUPAC[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CC[C@H](O)[C@]2(CCCO2)C1
InChIInChI=1S/C16H21NO4/c1-20-13-6-3-2-5-12(13)15(19)17-9-7-14(18)16(11-17)8-4-10-21-16/h2-3,5-6,14,18H,4,7-11H2,1H3/t14-,16-/m0/s1
InChIKeyRKNMETRXGFNHKL-HOCLYGCPSA-N
MW291.35 g/mol
LogP1.45
Rot. Bonds2

About [(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methoxyphenyl)methanone

[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methoxyphenyl)methanone (PubChem CID 110156370) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is [(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methoxyphenyl)methanone
PubChem CID110156370
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CC[C@H](O)[C@]2(CCCO2)C1
InChIInChI=1S/C16H21NO4/c1-20-13-6-3-2-5-12(13)15(19)17-9-7-14(18)16(11-17)8-4-10-21-16/h2-3,5-6,14,18H,4,7-11H2,1H3/t14-,16-/m0/s1
InChIKeyRKNMETRXGFNHKL-HOCLYGCPSA-N
XLogP1.45
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methoxyphenyl)methanone with MolForge

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Related Compounds

[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2-methoxyphenyl)methanone
CID 125000712
(5-fluoro-2-methoxyphenyl)-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 124978825
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 10560934
(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 5149560
[4-(2-aminoethyl)phenyl]-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 110159649
(3-hydroxy-4,4-dimethylpiperidin-1-yl)-(2-methoxyphenyl)methanone
CID 115269834
[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone
CID 110156088
methyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 84581536
(4-hydroxy-4-methylazepan-1-yl)-(2-methoxyphenyl)methanone
CID 107406615
1-cyclohexyl-3-[1-(2-methoxybenzoyl)piperidin-4-yl]urea
CID 127232346
(2-methoxyphenyl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone
CID 56764624
(4-cyclopentylpiperazin-1-yl)-(2-methoxyphenyl)methanone
CID 796432

Frequently Asked Questions

What is the IUPAC name of [(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methoxyphenyl)methanone (CID 110156370) is [(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)N1CC[C@H](O)[C@]2(CCCO2)C1.
What is the InChIKey of [(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methoxyphenyl)methanone?
The InChIKey is RKNMETRXGFNHKL-HOCLYGCPSA-N. The full InChI is InChI=1S/C16H21NO4/c1-20-13-6-3-2-5-12(13)15(19)17-9-7-14(18)16(11-17)8-4-10-21-16/h2-3,5-6,14,18H,4,7-11H2,1H3/t14-,16-/m0/s1.
What are the key properties of [(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methoxyphenyl)methanone?
[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methoxyphenyl)methanone has a molecular weight of 291.35 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 110156370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).