2-[(4-chlorophenyl)methyl]-8-(2-methoxyacetyl)-2,8-diazaspiro[4.5]decan-3-one

C18H23ClN2O3 — CID 70760172

IUPAC2-[(4-chlorophenyl)methyl]-8-(2-methoxyacetyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCOCC(=O)N1CCC2(CC1)CC(=O)N(Cc1ccc(Cl)cc1)C2
InChIInChI=1S/C18H23ClN2O3/c1-24-12-17(23)20-8-6-18(7-9-20)10-16(22)21(13-18)11-14-2-4-15(19)5-3-14/h2-5H,6-13H2,1H3
InChIKeyBWCSMYZEIDBIAJ-UHFFFAOYSA-N
MW350.85 g/mol
LogP2.33
Rot. Bonds4

About 2-[(4-chlorophenyl)methyl]-8-(2-methoxyacetyl)-2,8-diazaspiro[4.5]decan-3-one

2-[(4-chlorophenyl)methyl]-8-(2-methoxyacetyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 70760172) has the molecular formula C18H23ClN2O3 and a molecular weight of 350.85 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-8-(2-methoxyacetyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-8-(2-methoxyacetyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID70760172
Molecular FormulaC18H23ClN2O3
Molecular Weight350.85 g/mol
Exact Mass350.14
IUPAC Name2-[(4-chlorophenyl)methyl]-8-(2-methoxyacetyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCOCC(=O)N1CCC2(CC1)CC(=O)N(Cc1ccc(Cl)cc1)C2
InChIInChI=1S/C18H23ClN2O3/c1-24-12-17(23)20-8-6-18(7-9-20)10-16(22)21(13-18)11-14-2-4-15(19)5-3-14/h2-5H,6-13H2,1H3
InChIKeyBWCSMYZEIDBIAJ-UHFFFAOYSA-N
XLogP2.33
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(4-Chlorophenyl)methyl-methylamino]butyl]piperidin-2-one
CID 134150162
1-(4-Chlorobenzyl)-5-(4-morpholinylcarbonyl)-2-piperidinone
CID 24790326
1-[(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone
CID 3233949
US10927128, Example 76
CID 135374638
US10927128, Example 72
CID 135374669
US10927128, Example 73
CID 135374757
4-[(4-Chlorophenyl)methyl]-2,2,6,6-tetramethyl-3,5-morpholinedione
CID 12282989
1-(4-Chlorobenzyl)-5-{[4-(2-methoxyethyl)-1-piperazinyl]carbonyl}-2-piperidinone
CID 24790162
1-[4-[1-[(4-Chlorophenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]-2-ethoxyethanone
CID 45226715
N-(3-chlorobenzyl)-1-(2-methoxyethyl)-N-methylpyrrolidine-3-carboxamide
CID 50954900
2-[(4-Chlorophenyl)methyl]-8-(2,4-dimethylpentan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 52941888
9-(4-Chlorobenzyl)-3-(methoxyacetyl)-3,9-diazaspiro[5.6]dodecane
CID 56701264

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-8-(2-methoxyacetyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-8-(2-methoxyacetyl)-2,8-diazaspiro[4.5]decan-3-one (CID 70760172) is 2-[(4-chlorophenyl)methyl]-8-(2-methoxyacetyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-8-(2-methoxyacetyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-8-(2-methoxyacetyl)-2,8-diazaspiro[4.5]decan-3-one is COCC(=O)N1CCC2(CC1)CC(=O)N(Cc1ccc(Cl)cc1)C2.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-8-(2-methoxyacetyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is BWCSMYZEIDBIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O3/c1-24-12-17(23)20-8-6-18(7-9-20)10-16(22)21(13-18)11-14-2-4-15(19)5-3-14/h2-5H,6-13H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)methyl]-8-(2-methoxyacetyl)-2,8-diazaspiro[4.5]decan-3-one?
2-[(4-chlorophenyl)methyl]-8-(2-methoxyacetyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 350.85 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-8-(2-methoxyacetyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 70760172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).