cyclohexyl-(9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone

C20H30N4O — CID 97393884

IUPACcyclohexyl-(9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone
SMILESO=C(C1CCCCC1)N1CCCC2(CCN(c3cnccn3)CC2)C1
InChIInChI=1S/C20H30N4O/c25-19(17-5-2-1-3-6-17)24-12-4-7-20(16-24)8-13-23(14-9-20)18-15-21-10-11-22-18/h10-11,15,17H,1-9,12-14,16H2
InChIKeySINDECWEODWZJU-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.27
Rot. Bonds2

About cyclohexyl-(9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone

cyclohexyl-(9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone (PubChem CID 97393884) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is cyclohexyl-(9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone.

Molecular Properties

Compound Namecyclohexyl-(9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone
PubChem CID97393884
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Namecyclohexyl-(9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone
SMILESO=C(C1CCCCC1)N1CCCC2(CCN(c3cnccn3)CC2)C1
InChIInChI=1S/C20H30N4O/c25-19(17-5-2-1-3-6-17)24-12-4-7-20(16-24)8-13-23(14-9-20)18-15-21-10-11-22-18/h10-11,15,17H,1-9,12-14,16H2
InChIKeySINDECWEODWZJU-UHFFFAOYSA-N
XLogP3.27
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
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 cyclohexyl-(9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone?
The IUPAC name of cyclohexyl-(9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone (CID 97393884) is cyclohexyl-(9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone.
What is the SMILES notation for cyclohexyl-(9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone?
The canonical SMILES for cyclohexyl-(9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone is O=C(C1CCCCC1)N1CCCC2(CCN(c3cnccn3)CC2)C1.
What is the InChIKey of cyclohexyl-(9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone?
The InChIKey is SINDECWEODWZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c25-19(17-5-2-1-3-6-17)24-12-4-7-20(16-24)8-13-23(14-9-20)18-15-21-10-11-22-18/h10-11,15,17H,1-9,12-14,16H2.
What are the key properties of cyclohexyl-(9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone?
cyclohexyl-(9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone has a molecular weight of 342.49 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone is sourced from PubChem (CID 97393884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).