2-(2-methoxyethyl)-9-[(2-methyl-1H-imidazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-1-one

C17H28N4O2 — CID 98897244

IUPAC2-(2-methoxyethyl)-9-[(2-methyl-1H-imidazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-1-one
SMILESCOCCN1CCCC2(CCN(Cc3cnc(C)[nH]3)CC2)C1=O
InChIInChI=1S/C17H28N4O2/c1-14-18-12-15(19-14)13-20-8-5-17(6-9-20)4-3-7-21(16(17)22)10-11-23-2/h12H,3-11,13H2,1-2H3,(H,18,19)
InChIKeyWGPFDUNSTWFLRN-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.57
Rot. Bonds5

About 2-(2-methoxyethyl)-9-[(2-methyl-1H-imidazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-1-one

2-(2-methoxyethyl)-9-[(2-methyl-1H-imidazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 98897244) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-9-[(2-methyl-1H-imidazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-9-[(2-methyl-1H-imidazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-1-one
PubChem CID98897244
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name2-(2-methoxyethyl)-9-[(2-methyl-1H-imidazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-1-one
SMILESCOCCN1CCCC2(CCN(Cc3cnc(C)[nH]3)CC2)C1=O
InChIInChI=1S/C17H28N4O2/c1-14-18-12-15(19-14)13-20-8-5-17(6-9-20)4-3-7-21(16(17)22)10-11-23-2/h12H,3-11,13H2,1-2H3,(H,18,19)
InChIKeyWGPFDUNSTWFLRN-UHFFFAOYSA-N
XLogP1.57
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-9-[(2-methyl-1H-imidazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 2-(2-methoxyethyl)-9-[(2-methyl-1H-imidazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-1-one (CID 98897244) is 2-(2-methoxyethyl)-9-[(2-methyl-1H-imidazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 2-(2-methoxyethyl)-9-[(2-methyl-1H-imidazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 2-(2-methoxyethyl)-9-[(2-methyl-1H-imidazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-1-one is COCCN1CCCC2(CCN(Cc3cnc(C)[nH]3)CC2)C1=O.
What is the InChIKey of 2-(2-methoxyethyl)-9-[(2-methyl-1H-imidazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-1-one?
The InChIKey is WGPFDUNSTWFLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-14-18-12-15(19-14)13-20-8-5-17(6-9-20)4-3-7-21(16(17)22)10-11-23-2/h12H,3-11,13H2,1-2H3,(H,18,19).
What are the key properties of 2-(2-methoxyethyl)-9-[(2-methyl-1H-imidazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-1-one?
2-(2-methoxyethyl)-9-[(2-methyl-1H-imidazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 320.44 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-9-[(2-methyl-1H-imidazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 98897244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).