1-(3-methoxyphenyl)-4-oxa-1,10-diazaspiro[5.6]dodecan-2-one

C16H22N2O3 — CID 115067111

IUPAC1-(3-methoxyphenyl)-4-oxa-1,10-diazaspiro[5.6]dodecan-2-one
SMILESCOc1cccc(N2C(=O)COCC23CCCNCC3)c1
InChIInChI=1S/C16H22N2O3/c1-20-14-5-2-4-13(10-14)18-15(19)11-21-12-16(18)6-3-8-17-9-7-16/h2,4-5,10,17H,3,6-9,11-12H2,1H3
InChIKeyGPWJTOXOQNLDHS-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.57
Rot. Bonds2

About 1-(3-methoxyphenyl)-4-oxa-1,10-diazaspiro[5.6]dodecan-2-one

1-(3-methoxyphenyl)-4-oxa-1,10-diazaspiro[5.6]dodecan-2-one (PubChem CID 115067111) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-4-oxa-1,10-diazaspiro[5.6]dodecan-2-one.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-4-oxa-1,10-diazaspiro[5.6]dodecan-2-one
PubChem CID115067111
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-(3-methoxyphenyl)-4-oxa-1,10-diazaspiro[5.6]dodecan-2-one
SMILESCOc1cccc(N2C(=O)COCC23CCCNCC3)c1
InChIInChI=1S/C16H22N2O3/c1-20-14-5-2-4-13(10-14)18-15(19)11-21-12-16(18)6-3-8-17-9-7-16/h2,4-5,10,17H,3,6-9,11-12H2,1H3
InChIKeyGPWJTOXOQNLDHS-UHFFFAOYSA-N
XLogP1.57
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenyl)-2,9-diazaspiro[4.5]decane-1,3-dione
CID 118741544
3-(3-methoxyphenyl)-3,9-diazaspiro[5.5]undecane
CID 82484817
bis(1-(3-methoxyphenyl)piperazine);dihydrochloride
CID 70182951
1-(3-methoxyphenyl)pyrazolidine-3,5-dione
CID 71563531
4-fluoro-4-[(3-methoxyphenyl)methyl]azepane
CID 113361771
3-(3-methoxyphenyl)-4-methyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115064312
4-(3-methoxyphenyl)piperazine-2,6-dione
CID 63788375
1-(3-methoxyphenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione
CID 54773622
3-(3-methoxyphenyl)-4-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 115064566
3-[2-(3-methoxyphenyl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 70742509
(4R)-4-(3-methoxyphenyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one
CID 96530490
4-[(3-methoxyphenoxy)methyl]piperidin-4-ol
CID 81042080

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-4-oxa-1,10-diazaspiro[5.6]dodecan-2-one?
The IUPAC name of 1-(3-methoxyphenyl)-4-oxa-1,10-diazaspiro[5.6]dodecan-2-one (CID 115067111) is 1-(3-methoxyphenyl)-4-oxa-1,10-diazaspiro[5.6]dodecan-2-one.
What is the SMILES notation for 1-(3-methoxyphenyl)-4-oxa-1,10-diazaspiro[5.6]dodecan-2-one?
The canonical SMILES for 1-(3-methoxyphenyl)-4-oxa-1,10-diazaspiro[5.6]dodecan-2-one is COc1cccc(N2C(=O)COCC23CCCNCC3)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-4-oxa-1,10-diazaspiro[5.6]dodecan-2-one?
The InChIKey is GPWJTOXOQNLDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-20-14-5-2-4-13(10-14)18-15(19)11-21-12-16(18)6-3-8-17-9-7-16/h2,4-5,10,17H,3,6-9,11-12H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)-4-oxa-1,10-diazaspiro[5.6]dodecan-2-one?
1-(3-methoxyphenyl)-4-oxa-1,10-diazaspiro[5.6]dodecan-2-one has a molecular weight of 290.36 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-4-oxa-1,10-diazaspiro[5.6]dodecan-2-one is sourced from PubChem (CID 115067111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).