2-[4-(methoxymethyl)phenyl]-1,4-diazaspiro[4.4]nonan-3-one

C15H20N2O2 — CID 59317131

IUPAC2-[4-(methoxymethyl)phenyl]-1,4-diazaspiro[4.4]nonan-3-one
SMILESCOCc1ccc(C2NC3(CCCC3)NC2=O)cc1
InChIInChI=1S/C15H20N2O2/c1-19-10-11-4-6-12(7-5-11)13-14(18)17-15(16-13)8-2-3-9-15/h4-7,13,16H,2-3,8-10H2,1H3,(H,17,18)
InChIKeyUROQJYCFOZYMNL-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.86
Rot. Bonds3

About 2-[4-(methoxymethyl)phenyl]-1,4-diazaspiro[4.4]nonan-3-one

2-[4-(methoxymethyl)phenyl]-1,4-diazaspiro[4.4]nonan-3-one (PubChem CID 59317131) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[4-(methoxymethyl)phenyl]-1,4-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name2-[4-(methoxymethyl)phenyl]-1,4-diazaspiro[4.4]nonan-3-one
PubChem CID59317131
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-[4-(methoxymethyl)phenyl]-1,4-diazaspiro[4.4]nonan-3-one
SMILESCOCc1ccc(C2NC3(CCCC3)NC2=O)cc1
InChIInChI=1S/C15H20N2O2/c1-19-10-11-4-6-12(7-5-11)13-14(18)17-15(16-13)8-2-3-9-15/h4-7,13,16H,2-3,8-10H2,1H3,(H,17,18)
InChIKeyUROQJYCFOZYMNL-UHFFFAOYSA-N
XLogP1.86
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxymethyl)phenyl]-1,4-diazaspiro[4.4]nonan-3-one?
The IUPAC name of 2-[4-(methoxymethyl)phenyl]-1,4-diazaspiro[4.4]nonan-3-one (CID 59317131) is 2-[4-(methoxymethyl)phenyl]-1,4-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for 2-[4-(methoxymethyl)phenyl]-1,4-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for 2-[4-(methoxymethyl)phenyl]-1,4-diazaspiro[4.4]nonan-3-one is COCc1ccc(C2NC3(CCCC3)NC2=O)cc1.
What is the InChIKey of 2-[4-(methoxymethyl)phenyl]-1,4-diazaspiro[4.4]nonan-3-one?
The InChIKey is UROQJYCFOZYMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-19-10-11-4-6-12(7-5-11)13-14(18)17-15(16-13)8-2-3-9-15/h4-7,13,16H,2-3,8-10H2,1H3,(H,17,18).
What are the key properties of 2-[4-(methoxymethyl)phenyl]-1,4-diazaspiro[4.4]nonan-3-one?
2-[4-(methoxymethyl)phenyl]-1,4-diazaspiro[4.4]nonan-3-one has a molecular weight of 260.34 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxymethyl)phenyl]-1,4-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 59317131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).