3-(4-chlorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one

C17H22ClNO3 — CID 110156871

IUPAC3-(4-chlorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one
SMILESO=C(CCc1ccc(Cl)cc1)N1CC[C@@]2(CCCO2)[C@@H](O)C1
InChIInChI=1S/C17H22ClNO3/c18-14-5-2-13(3-6-14)4-7-16(21)19-10-9-17(15(20)12-19)8-1-11-22-17/h2-3,5-6,15,20H,1,4,7-12H2/t15-,17-/m0/s1
InChIKeyFYCBYZDGUVRNMV-RDJZCZTQSA-N
MW323.82 g/mol
LogP2.41
Rot. Bonds3

About 3-(4-chlorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one

3-(4-chlorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one (PubChem CID 110156871) has the molecular formula C17H22ClNO3 and a molecular weight of 323.82 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one
PubChem CID110156871
Molecular FormulaC17H22ClNO3
Molecular Weight323.82 g/mol
Exact Mass323.13
IUPAC Name3-(4-chlorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one
SMILESO=C(CCc1ccc(Cl)cc1)N1CC[C@@]2(CCCO2)[C@@H](O)C1
InChIInChI=1S/C17H22ClNO3/c18-14-5-2-13(3-6-14)4-7-16(21)19-10-9-17(15(20)12-19)8-1-11-22-17/h2-3,5-6,15,20H,1,4,7-12H2/t15-,17-/m0/s1
InChIKeyFYCBYZDGUVRNMV-RDJZCZTQSA-N
XLogP2.41
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 110159723
4-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-4-oxobutanoic acid
CID 110155869
3-(4-chlorophenyl)-1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536940
(4-ethylphenyl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 110159527
4-(4-fluorophenyl)-1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]butan-1-one
CID 97150225
4-(4-fluorophenyl)-1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)butan-1-one
CID 72926830
1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(oxan-4-yl)ethanone
CID 110156326
(3S)-1-[3-(4-chlorophenyl)propanoyl]pyrrolidine-3-carboxylic acid
CID 124700361
1-[4-[3-(4-chlorophenyl)propanoyl]-1,4-diazepan-1-yl]-3-cyclohexylpropan-1-one
CID 108547690
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-piperidin-1-ylphenyl)propan-1-one
CID 110648815
(5S,6S)-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol
CID 110156016
[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,2-oxazol-3-yl)methanone
CID 110155802

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one?
The IUPAC name of 3-(4-chlorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one (CID 110156871) is 3-(4-chlorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one?
The canonical SMILES for 3-(4-chlorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one is O=C(CCc1ccc(Cl)cc1)N1CC[C@@]2(CCCO2)[C@@H](O)C1.
What is the InChIKey of 3-(4-chlorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one?
The InChIKey is FYCBYZDGUVRNMV-RDJZCZTQSA-N. The full InChI is InChI=1S/C17H22ClNO3/c18-14-5-2-13(3-6-14)4-7-16(21)19-10-9-17(15(20)12-19)8-1-11-22-17/h2-3,5-6,15,20H,1,4,7-12H2/t15-,17-/m0/s1.
What are the key properties of 3-(4-chlorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one?
3-(4-chlorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one has a molecular weight of 323.82 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one is sourced from PubChem (CID 110156871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).