methyl 6-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)pyrazine-2-carboxylate

C22H26N4O3 — CID 70726935

IUPACmethyl 6-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(N2CCCC3(CCC(=O)N(Cc4ccccc4)C3)C2)n1
InChIInChI=1S/C22H26N4O3/c1-29-21(28)18-12-23-13-19(24-18)25-11-5-9-22(15-25)10-8-20(27)26(16-22)14-17-6-3-2-4-7-17/h2-4,6-7,12-13H,5,8-11,14-16H2,1H3
InChIKeyXHYIPOUZMZZBIQ-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.67
Rot. Bonds4

About methyl 6-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)pyrazine-2-carboxylate

methyl 6-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)pyrazine-2-carboxylate (PubChem CID 70726935) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is methyl 6-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)pyrazine-2-carboxylate
PubChem CID70726935
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Namemethyl 6-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(N2CCCC3(CCC(=O)N(Cc4ccccc4)C3)C2)n1
InChIInChI=1S/C22H26N4O3/c1-29-21(28)18-12-23-13-19(24-18)25-11-5-9-22(15-25)10-8-20(27)26(16-22)14-17-6-3-2-4-7-17/h2-4,6-7,12-13H,5,8-11,14-16H2,1H3
InChIKeyXHYIPOUZMZZBIQ-UHFFFAOYSA-N
XLogP2.67
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)pyrazine-2-carboxylate (CID 70726935) is methyl 6-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)pyrazine-2-carboxylate is COC(=O)c1cncc(N2CCCC3(CCC(=O)N(Cc4ccccc4)C3)C2)n1.
What is the InChIKey of methyl 6-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)pyrazine-2-carboxylate?
The InChIKey is XHYIPOUZMZZBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-29-21(28)18-12-23-13-19(24-18)25-11-5-9-22(15-25)10-8-20(27)26(16-22)14-17-6-3-2-4-7-17/h2-4,6-7,12-13H,5,8-11,14-16H2,1H3.
What are the key properties of methyl 6-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)pyrazine-2-carboxylate?
methyl 6-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)pyrazine-2-carboxylate has a molecular weight of 394.48 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)pyrazine-2-carboxylate is sourced from PubChem (CID 70726935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).