1-[(3R)-3-[(3-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-methoxyethanone

C18H24ClNO3 — CID 124951514

IUPAC1-[(3R)-3-[(3-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC2(CC1)CO[C@H](Cc1cccc(Cl)c1)C2
InChIInChI=1S/C18H24ClNO3/c1-22-12-17(21)20-7-5-18(6-8-20)11-16(23-13-18)10-14-3-2-4-15(19)9-14/h2-4,9,16H,5-8,10-13H2,1H3/t16-/m1/s1
InChIKeyDIHILQNZLCJXJW-MRXNPFEDSA-N
MW337.85 g/mol
LogP2.93
Rot. Bonds4

About 1-[(3R)-3-[(3-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-methoxyethanone

1-[(3R)-3-[(3-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-methoxyethanone (PubChem CID 124951514) has the molecular formula C18H24ClNO3 and a molecular weight of 337.85 g/mol. Its IUPAC name is 1-[(3R)-3-[(3-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[(3R)-3-[(3-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-methoxyethanone
PubChem CID124951514
Molecular FormulaC18H24ClNO3
Molecular Weight337.85 g/mol
Exact Mass337.14
IUPAC Name1-[(3R)-3-[(3-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC2(CC1)CO[C@H](Cc1cccc(Cl)c1)C2
InChIInChI=1S/C18H24ClNO3/c1-22-12-17(21)20-7-5-18(6-8-20)11-16(23-13-18)10-14-3-2-4-15(19)9-14/h2-4,9,16H,5-8,10-13H2,1H3/t16-/m1/s1
InChIKeyDIHILQNZLCJXJW-MRXNPFEDSA-N
XLogP2.93
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(3R)-3-[(3-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-methoxyethanone with MolForge

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Related Compounds

2-[(3S)-3-[(3-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanol
CID 124950946
1-[(3S)-3-[(4-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 124994566
1-[(3S)-3-[(4-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(methylamino)ethanone
CID 124978631
2-methoxy-1-[(3S)-3-(pyridin-2-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 97418410
1-(9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methoxyethanone
CID 3235224
1-[3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methylphenyl)ethanone
CID 131660419
2-(4-fluorophenoxy)-1-[3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 131651656
2-(2,3-dihydro-1H-inden-2-yl)-1-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 97418076
2-(3-chlorophenyl)-1-(4,4-dimethoxypiperidin-1-yl)ethanone
CID 112534858
1-[(2R)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-2-methoxyethanone
CID 124952778
2-(1,3-benzodioxol-5-yl)-1-[(3S)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 97418077
1-[3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-phenylpropan-1-one
CID 131656240

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[(3-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-methoxyethanone?
The IUPAC name of 1-[(3R)-3-[(3-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-methoxyethanone (CID 124951514) is 1-[(3R)-3-[(3-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[(3R)-3-[(3-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-methoxyethanone?
The canonical SMILES for 1-[(3R)-3-[(3-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-methoxyethanone is COCC(=O)N1CCC2(CC1)CO[C@H](Cc1cccc(Cl)c1)C2.
What is the InChIKey of 1-[(3R)-3-[(3-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-methoxyethanone?
The InChIKey is DIHILQNZLCJXJW-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24ClNO3/c1-22-12-17(21)20-7-5-18(6-8-20)11-16(23-13-18)10-14-3-2-4-15(19)9-14/h2-4,9,16H,5-8,10-13H2,1H3/t16-/m1/s1.
What are the key properties of 1-[(3R)-3-[(3-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-methoxyethanone?
1-[(3R)-3-[(3-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-methoxyethanone has a molecular weight of 337.85 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[(3-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-methoxyethanone is sourced from PubChem (CID 124951514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).