1-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-2-(dimethylamino)ethanone

C16H23F2N5O — CID 134077896

IUPAC1-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)N1CCC(F)(F)C2(CCN(c3cnccn3)C2)C1
InChIInChI=1S/C16H23F2N5O/c1-21(2)10-14(24)23-8-4-16(17,18)15(12-23)3-7-22(11-15)13-9-19-5-6-20-13/h5-6,9H,3-4,7-8,10-12H2,1-2H3
InChIKeyAVZZITWTHCEOBO-UHFFFAOYSA-N
MW339.39 g/mol
LogP1.10
Rot. Bonds3

About 1-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-2-(dimethylamino)ethanone

1-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-2-(dimethylamino)ethanone (PubChem CID 134077896) has the molecular formula C16H23F2N5O and a molecular weight of 339.39 g/mol. Its IUPAC name is 1-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-2-(dimethylamino)ethanone.

Molecular Properties

Compound Name1-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-2-(dimethylamino)ethanone
PubChem CID134077896
Molecular FormulaC16H23F2N5O
Molecular Weight339.39 g/mol
Exact Mass339.19
IUPAC Name1-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)N1CCC(F)(F)C2(CCN(c3cnccn3)C2)C1
InChIInChI=1S/C16H23F2N5O/c1-21(2)10-14(24)23-8-4-16(17,18)15(12-23)3-7-22(11-15)13-9-19-5-6-20-13/h5-6,9H,3-4,7-8,10-12H2,1-2H3
InChIKeyAVZZITWTHCEOBO-UHFFFAOYSA-N
XLogP1.10
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-2-(dimethylamino)ethanone?
The IUPAC name of 1-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-2-(dimethylamino)ethanone (CID 134077896) is 1-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-2-(dimethylamino)ethanone.
What is the SMILES notation for 1-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-2-(dimethylamino)ethanone?
The canonical SMILES for 1-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-2-(dimethylamino)ethanone is CN(C)CC(=O)N1CCC(F)(F)C2(CCN(c3cnccn3)C2)C1.
What is the InChIKey of 1-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-2-(dimethylamino)ethanone?
The InChIKey is AVZZITWTHCEOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N5O/c1-21(2)10-14(24)23-8-4-16(17,18)15(12-23)3-7-22(11-15)13-9-19-5-6-20-13/h5-6,9H,3-4,7-8,10-12H2,1-2H3.
What are the key properties of 1-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-2-(dimethylamino)ethanone?
1-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-2-(dimethylamino)ethanone has a molecular weight of 339.39 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-2-(dimethylamino)ethanone is sourced from PubChem (CID 134077896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).