2-[3-(dimethylamino)pyrazin-2-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

C17H27N5O2 — CID 72905062

IUPAC2-[3-(dimethylamino)pyrazin-2-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCCC2(CCN(c3nccnc3N(C)C)C2)C1=O
InChIInChI=1S/C17H27N5O2/c1-20(2)14-15(19-8-7-18-14)22-10-6-17(13-22)5-4-9-21(16(17)23)11-12-24-3/h7-8H,4-6,9-13H2,1-3H3
InChIKeyIBIHYODFOSSXFD-UHFFFAOYSA-N
MW333.44 g/mol
LogP1.01
Rot. Bonds5

About 2-[3-(dimethylamino)pyrazin-2-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

2-[3-(dimethylamino)pyrazin-2-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72905062) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-[3-(dimethylamino)pyrazin-2-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-[3-(dimethylamino)pyrazin-2-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72905062
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name2-[3-(dimethylamino)pyrazin-2-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCCC2(CCN(c3nccnc3N(C)C)C2)C1=O
InChIInChI=1S/C17H27N5O2/c1-20(2)14-15(19-8-7-18-14)22-10-6-17(13-22)5-4-9-21(16(17)23)11-12-24-3/h7-8H,4-6,9-13H2,1-3H3
InChIKeyIBIHYODFOSSXFD-UHFFFAOYSA-N
XLogP1.01
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)pyrazin-2-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-[3-(dimethylamino)pyrazin-2-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 72905062) is 2-[3-(dimethylamino)pyrazin-2-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-[3-(dimethylamino)pyrazin-2-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-[3-(dimethylamino)pyrazin-2-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one is COCCN1CCCC2(CCN(c3nccnc3N(C)C)C2)C1=O.
What is the InChIKey of 2-[3-(dimethylamino)pyrazin-2-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is IBIHYODFOSSXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-20(2)14-15(19-8-7-18-14)22-10-6-17(13-22)5-4-9-21(16(17)23)11-12-24-3/h7-8H,4-6,9-13H2,1-3H3.
What are the key properties of 2-[3-(dimethylamino)pyrazin-2-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
2-[3-(dimethylamino)pyrazin-2-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 333.44 g/mol, XLogP of 1.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)pyrazin-2-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72905062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).