2-(3-chlorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone

C16H20ClNO3 — CID 110159723

IUPAC2-(3-chlorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
SMILESO=C(Cc1cccc(Cl)c1)N1CC[C@@]2(CCCO2)[C@@H](O)C1
InChIInChI=1S/C16H20ClNO3/c17-13-4-1-3-12(9-13)10-15(20)18-7-6-16(14(19)11-18)5-2-8-21-16/h1,3-4,9,14,19H,2,5-8,10-11H2/t14-,16-/m0/s1
InChIKeyKPWACPGGFNBNIL-HOCLYGCPSA-N
MW309.79 g/mol
LogP2.02
Rot. Bonds2

About 2-(3-chlorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone

2-(3-chlorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone (PubChem CID 110159723) has the molecular formula C16H20ClNO3 and a molecular weight of 309.79 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
PubChem CID110159723
Molecular FormulaC16H20ClNO3
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name2-(3-chlorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
SMILESO=C(Cc1cccc(Cl)c1)N1CC[C@@]2(CCCO2)[C@@H](O)C1
InChIInChI=1S/C16H20ClNO3/c17-13-4-1-3-12(9-13)10-15(20)18-7-6-16(14(19)11-18)5-2-8-21-16/h1,3-4,9,14,19H,2,5-8,10-11H2/t14-,16-/m0/s1
InChIKeyKPWACPGGFNBNIL-HOCLYGCPSA-N
XLogP2.02
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 110156721
3-(4-chlorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one
CID 110156871
1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 124959970
1-(9-acetyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-(3-chlorophenyl)ethanone
CID 134787981
1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-naphthalen-2-ylethanone
CID 110156877
2-(3-fluorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 110156402
2-(3-chlorophenyl)-1-(4,4-dimethoxypiperidin-1-yl)ethanone
CID 112534858
4-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-4-oxobutanoic acid
CID 110155869
2-(3-chlorophenyl)-1-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 115304338
1-(3-aminopyrrolidin-1-yl)-2-(3-chlorophenyl)ethanone
CID 62504630
2-(3-chlorophenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone
CID 95759114
2-(3-chlorophenyl)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone
CID 95759115

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone?
The IUPAC name of 2-(3-chlorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone (CID 110159723) is 2-(3-chlorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone.
What is the SMILES notation for 2-(3-chlorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone?
The canonical SMILES for 2-(3-chlorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone is O=C(Cc1cccc(Cl)c1)N1CC[C@@]2(CCCO2)[C@@H](O)C1.
What is the InChIKey of 2-(3-chlorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone?
The InChIKey is KPWACPGGFNBNIL-HOCLYGCPSA-N. The full InChI is InChI=1S/C16H20ClNO3/c17-13-4-1-3-12(9-13)10-15(20)18-7-6-16(14(19)11-18)5-2-8-21-16/h1,3-4,9,14,19H,2,5-8,10-11H2/t14-,16-/m0/s1.
What are the key properties of 2-(3-chlorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone?
2-(3-chlorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone has a molecular weight of 309.79 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone is sourced from PubChem (CID 110159723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).