1-(9-acetyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-(3-chlorophenyl)ethanone

C18H23ClN2O3 — CID 134787981

IUPAC1-(9-acetyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-(3-chlorophenyl)ethanone
SMILESCC(=O)N1CCC2(CC1)CN(C(=O)Cc1cccc(Cl)c1)CCO2
InChIInChI=1S/C18H23ClN2O3/c1-14(22)20-7-5-18(6-8-20)13-21(9-10-24-18)17(23)12-15-3-2-4-16(19)11-15/h2-4,11H,5-10,12-13H2,1H3
InChIKeyCPGVHLSMOQBZBK-UHFFFAOYSA-N
MW350.85 g/mol
LogP2.12
Rot. Bonds2

About 1-(9-acetyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-(3-chlorophenyl)ethanone

1-(9-acetyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-(3-chlorophenyl)ethanone (PubChem CID 134787981) has the molecular formula C18H23ClN2O3 and a molecular weight of 350.85 g/mol. Its IUPAC name is 1-(9-acetyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-(3-chlorophenyl)ethanone.

Molecular Properties

Compound Name1-(9-acetyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-(3-chlorophenyl)ethanone
PubChem CID134787981
Molecular FormulaC18H23ClN2O3
Molecular Weight350.85 g/mol
Exact Mass350.14
IUPAC Name1-(9-acetyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-(3-chlorophenyl)ethanone
SMILESCC(=O)N1CCC2(CC1)CN(C(=O)Cc1cccc(Cl)c1)CCO2
InChIInChI=1S/C18H23ClN2O3/c1-14(22)20-7-5-18(6-8-20)13-21(9-10-24-18)17(23)12-15-3-2-4-16(19)11-15/h2-4,11H,5-10,12-13H2,1H3
InChIKeyCPGVHLSMOQBZBK-UHFFFAOYSA-N
XLogP2.12
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-1-(4,4-dimethoxypiperidin-1-yl)ethanone
CID 112534858
2-(3-chlorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 110159723
2-(3-chlorophenyl)-1-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 115304338
2-(3-chlorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 110156721
1-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-(4-methylsulfonylphenyl)ethanone
CID 138380259
1-[9-(2-ethyl-6-methylpyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-phenylethanone
CID 131913030
2-(3-fluorophenyl)-1-(1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
CID 110203850
1-[(6R)-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]-2-phenylethanone
CID 97449072
N-[3-[4-[2-(4-hydroxyphenyl)acetyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-oxopropyl]acetamide
CID 134788616
9-[2-(4-hydroxyphenyl)acetyl]-N-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
CID 134788985
1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-2-(3-chlorophenyl)ethanone
CID 114781279
4-[2-(3-chlorophenyl)acetyl]piperazine-1-sulfonamide
CID 62505497

Frequently Asked Questions

What is the IUPAC name of 1-(9-acetyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-(3-chlorophenyl)ethanone?
The IUPAC name of 1-(9-acetyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-(3-chlorophenyl)ethanone (CID 134787981) is 1-(9-acetyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-(3-chlorophenyl)ethanone.
What is the SMILES notation for 1-(9-acetyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-(3-chlorophenyl)ethanone?
The canonical SMILES for 1-(9-acetyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-(3-chlorophenyl)ethanone is CC(=O)N1CCC2(CC1)CN(C(=O)Cc1cccc(Cl)c1)CCO2.
What is the InChIKey of 1-(9-acetyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-(3-chlorophenyl)ethanone?
The InChIKey is CPGVHLSMOQBZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O3/c1-14(22)20-7-5-18(6-8-20)13-21(9-10-24-18)17(23)12-15-3-2-4-16(19)11-15/h2-4,11H,5-10,12-13H2,1H3.
What are the key properties of 1-(9-acetyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-(3-chlorophenyl)ethanone?
1-(9-acetyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-(3-chlorophenyl)ethanone has a molecular weight of 350.85 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-acetyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-(3-chlorophenyl)ethanone is sourced from PubChem (CID 134787981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).