7-(2-cyclohexylethyl)-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-6-one

C20H30N4O — CID 45239379

IUPAC7-(2-cyclohexylethyl)-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(CCC2CCCCC2)CCCC12CCN(c1cnccn1)C2
InChIInChI=1S/C20H30N4O/c25-19-20(9-14-24(16-20)18-15-21-10-11-22-18)8-4-12-23(19)13-7-17-5-2-1-3-6-17/h10-11,15,17H,1-9,12-14,16H2
InChIKeyXNEIAGZSEPSHGZ-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.27
Rot. Bonds4

About 7-(2-cyclohexylethyl)-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-6-one

7-(2-cyclohexylethyl)-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45239379) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 7-(2-cyclohexylethyl)-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(2-cyclohexylethyl)-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45239379
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name7-(2-cyclohexylethyl)-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(CCC2CCCCC2)CCCC12CCN(c1cnccn1)C2
InChIInChI=1S/C20H30N4O/c25-19-20(9-14-24(16-20)18-15-21-10-11-22-18)8-4-12-23(19)13-7-17-5-2-1-3-6-17/h10-11,15,17H,1-9,12-14,16H2
InChIKeyXNEIAGZSEPSHGZ-UHFFFAOYSA-N
XLogP3.27
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-cyclohexylethyl)-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(2-cyclohexylethyl)-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-6-one (CID 45239379) is 7-(2-cyclohexylethyl)-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(2-cyclohexylethyl)-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(2-cyclohexylethyl)-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-6-one is O=C1N(CCC2CCCCC2)CCCC12CCN(c1cnccn1)C2.
What is the InChIKey of 7-(2-cyclohexylethyl)-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is XNEIAGZSEPSHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c25-19-20(9-14-24(16-20)18-15-21-10-11-22-18)8-4-12-23(19)13-7-17-5-2-1-3-6-17/h10-11,15,17H,1-9,12-14,16H2.
What are the key properties of 7-(2-cyclohexylethyl)-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-6-one?
7-(2-cyclohexylethyl)-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 342.49 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-cyclohexylethyl)-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45239379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).