8-[6-(3,3-dimethylazetidin-1-yl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-3-one

C17H25N5O — CID 134144349

IUPAC8-[6-(3,3-dimethylazetidin-1-yl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCC1(C)CN(c2cncc(N3CCC4(CC3)CNC(=O)C4)n2)C1
InChIInChI=1S/C17H25N5O/c1-16(2)11-22(12-16)14-9-18-8-13(20-14)21-5-3-17(4-6-21)7-15(23)19-10-17/h8-9H,3-7,10-12H2,1-2H3,(H,19,23)
InChIKeyXQBNNOFAFYZWBB-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.43
Rot. Bonds2

About 8-[6-(3,3-dimethylazetidin-1-yl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-3-one

8-[6-(3,3-dimethylazetidin-1-yl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 134144349) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 8-[6-(3,3-dimethylazetidin-1-yl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[6-(3,3-dimethylazetidin-1-yl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID134144349
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name8-[6-(3,3-dimethylazetidin-1-yl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCC1(C)CN(c2cncc(N3CCC4(CC3)CNC(=O)C4)n2)C1
InChIInChI=1S/C17H25N5O/c1-16(2)11-22(12-16)14-9-18-8-13(20-14)21-5-3-17(4-6-21)7-15(23)19-10-17/h8-9H,3-7,10-12H2,1-2H3,(H,19,23)
InChIKeyXQBNNOFAFYZWBB-UHFFFAOYSA-N
XLogP1.43
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[6-(3,3-dimethylazetidin-1-yl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[6-(3,3-dimethylazetidin-1-yl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-3-one (CID 134144349) is 8-[6-(3,3-dimethylazetidin-1-yl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[6-(3,3-dimethylazetidin-1-yl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[6-(3,3-dimethylazetidin-1-yl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-3-one is CC1(C)CN(c2cncc(N3CCC4(CC3)CNC(=O)C4)n2)C1.
What is the InChIKey of 8-[6-(3,3-dimethylazetidin-1-yl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is XQBNNOFAFYZWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-16(2)11-22(12-16)14-9-18-8-13(20-14)21-5-3-17(4-6-21)7-15(23)19-10-17/h8-9H,3-7,10-12H2,1-2H3,(H,19,23).
What are the key properties of 8-[6-(3,3-dimethylazetidin-1-yl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-3-one?
8-[6-(3,3-dimethylazetidin-1-yl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 315.42 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-(3,3-dimethylazetidin-1-yl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 134144349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).