methyl 3-(2,7-diazaspiro[4.4]nonan-2-yl)benzoate

C15H20N2O2 — CID 117028734

IUPACmethyl 3-(2,7-diazaspiro[4.4]nonan-2-yl)benzoate
SMILESCOC(=O)c1cccc(N2CCC3(CCNC3)C2)c1
InChIInChI=1S/C15H20N2O2/c1-19-14(18)12-3-2-4-13(9-12)17-8-6-15(11-17)5-7-16-10-15/h2-4,9,16H,5-8,10-11H2,1H3
InChIKeyRJHBURTUYLPZTQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.66
Rot. Bonds2

About methyl 3-(2,7-diazaspiro[4.4]nonan-2-yl)benzoate

methyl 3-(2,7-diazaspiro[4.4]nonan-2-yl)benzoate (PubChem CID 117028734) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is methyl 3-(2,7-diazaspiro[4.4]nonan-2-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-(2,7-diazaspiro[4.4]nonan-2-yl)benzoate
PubChem CID117028734
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Namemethyl 3-(2,7-diazaspiro[4.4]nonan-2-yl)benzoate
SMILESCOC(=O)c1cccc(N2CCC3(CCNC3)C2)c1
InChIInChI=1S/C15H20N2O2/c1-19-14(18)12-3-2-4-13(9-12)17-8-6-15(11-17)5-7-16-10-15/h2-4,9,16H,5-8,10-11H2,1H3
InChIKeyRJHBURTUYLPZTQ-UHFFFAOYSA-N
XLogP1.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)benzoate;hydrochloride
CID 120907762
2-(3-methylphenyl)-2,7-diazaspiro[4.4]nonane
CID 117028701
methyl 3-(4-hydroxy-3,3-dimethylpiperidin-1-yl)benzoate
CID 117024249
4-(2,7-diazaspiro[4.4]nonan-2-yl)-2-hydroxybenzaldehyde
CID 171103032
methyl 3-(3-methylpyrrolidin-3-yl)benzoate
CID 117068564
methyl 3-(3,6-dihydro-2H-pyridin-1-yl)benzoate
CID 91586710
methyl 4-(3-methoxycarbonylphenyl)piperazine-1-carboxylate
CID 113078493
methyl 2-amino-3-[6-(3-methoxycarbonylphenyl)-2,6-diazaspiro[3.3]heptan-2-yl]benzoate
CID 167430212
2-pyridin-3-yl-2,7-diazaspiro[4.4]nonane
CID 10262309
6-(2,7-diazaspiro[4.4]nonan-2-yl)quinoline
CID 82537940
3-(3-methoxyphenyl)-3,9-diazaspiro[5.5]undecane
CID 82484817
2-(1,3-benzodioxol-5-yl)-2,7-diazaspiro[4.4]nonane
CID 82537950

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,7-diazaspiro[4.4]nonan-2-yl)benzoate?
The IUPAC name of methyl 3-(2,7-diazaspiro[4.4]nonan-2-yl)benzoate (CID 117028734) is methyl 3-(2,7-diazaspiro[4.4]nonan-2-yl)benzoate.
What is the SMILES notation for methyl 3-(2,7-diazaspiro[4.4]nonan-2-yl)benzoate?
The canonical SMILES for methyl 3-(2,7-diazaspiro[4.4]nonan-2-yl)benzoate is COC(=O)c1cccc(N2CCC3(CCNC3)C2)c1.
What is the InChIKey of methyl 3-(2,7-diazaspiro[4.4]nonan-2-yl)benzoate?
The InChIKey is RJHBURTUYLPZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-19-14(18)12-3-2-4-13(9-12)17-8-6-15(11-17)5-7-16-10-15/h2-4,9,16H,5-8,10-11H2,1H3.
What are the key properties of methyl 3-(2,7-diazaspiro[4.4]nonan-2-yl)benzoate?
methyl 3-(2,7-diazaspiro[4.4]nonan-2-yl)benzoate has a molecular weight of 260.34 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,7-diazaspiro[4.4]nonan-2-yl)benzoate is sourced from PubChem (CID 117028734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).