1-[2-(3-methoxyphenoxy)acetyl]-1,9-diazaspiro[4.5]decan-10-one

C17H22N2O4 — CID 163310700

IUPAC1-[2-(3-methoxyphenoxy)acetyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESCOc1cccc(OCC(=O)N2CCCC23CCCNC3=O)c1
InChIInChI=1S/C17H22N2O4/c1-22-13-5-2-6-14(11-13)23-12-15(20)19-10-4-8-17(19)7-3-9-18-16(17)21/h2,5-6,11H,3-4,7-10,12H2,1H3,(H,18,21)
InChIKeyZMHPTYDUDJCDFG-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.35
Rot. Bonds4

About 1-[2-(3-methoxyphenoxy)acetyl]-1,9-diazaspiro[4.5]decan-10-one

1-[2-(3-methoxyphenoxy)acetyl]-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 163310700) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 1-[2-(3-methoxyphenoxy)acetyl]-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-[2-(3-methoxyphenoxy)acetyl]-1,9-diazaspiro[4.5]decan-10-one
PubChem CID163310700
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name1-[2-(3-methoxyphenoxy)acetyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESCOc1cccc(OCC(=O)N2CCCC23CCCNC3=O)c1
InChIInChI=1S/C17H22N2O4/c1-22-13-5-2-6-14(11-13)23-12-15(20)19-10-4-8-17(19)7-3-9-18-16(17)21/h2,5-6,11H,3-4,7-10,12H2,1H3,(H,18,21)
InChIKeyZMHPTYDUDJCDFG-UHFFFAOYSA-N
XLogP1.35
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,4-dimethylphenoxy)acetyl]-1,9-diazaspiro[4.5]decan-10-one
CID 163305769
9-methyl-1-(2-phenoxyacetyl)-1,9-diazaspiro[4.5]decan-10-one
CID 164698220
1-(1,4-diazepan-1-yl)-2-(3-methoxyphenoxy)ethanone;hydrochloride
CID 119414905
8-[2-(3-methoxyphenoxy)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165420308
1-[2-(3-methoxyphenyl)acetyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one
CID 162627422
1-[3-(3,5-dimethylphenyl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one
CID 164699962
2-(3-methoxyphenoxy)-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone
CID 124574816
8-[2-(3-methoxyphenoxy)acetyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110493992
(3R)-5-methoxy-1'-[2-(3-methylphenoxy)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103895
3-[4-[2-(3-methoxyphenoxy)acetyl]piperazin-1-yl]-3-oxopropanoate
CID 2050396
(2R)-1-[2-(3-methoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 39165023
2-(3-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 56698277

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyphenoxy)acetyl]-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-[2-(3-methoxyphenoxy)acetyl]-1,9-diazaspiro[4.5]decan-10-one (CID 163310700) is 1-[2-(3-methoxyphenoxy)acetyl]-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-[2-(3-methoxyphenoxy)acetyl]-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-[2-(3-methoxyphenoxy)acetyl]-1,9-diazaspiro[4.5]decan-10-one is COc1cccc(OCC(=O)N2CCCC23CCCNC3=O)c1.
What is the InChIKey of 1-[2-(3-methoxyphenoxy)acetyl]-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is ZMHPTYDUDJCDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-22-13-5-2-6-14(11-13)23-12-15(20)19-10-4-8-17(19)7-3-9-18-16(17)21/h2,5-6,11H,3-4,7-10,12H2,1H3,(H,18,21).
What are the key properties of 1-[2-(3-methoxyphenoxy)acetyl]-1,9-diazaspiro[4.5]decan-10-one?
1-[2-(3-methoxyphenoxy)acetyl]-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 318.37 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyphenoxy)acetyl]-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 163310700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).