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

C18H29N5O — CID 72913109

IUPAC8-[6-(dimethylamino)pyrazin-2-yl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCC(C)CN1CC2(CCN(c3cncc(N(C)C)n3)CC2)CC1=O
InChIInChI=1S/C18H29N5O/c1-14(2)12-23-13-18(9-17(23)24)5-7-22(8-6-18)16-11-19-10-15(20-16)21(3)4/h10-11,14H,5-9,12-13H2,1-4H3
InChIKeySIQCKFASOOGWME-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.02
Rot. Bonds4

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

8-[6-(dimethylamino)pyrazin-2-yl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72913109) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is 8-[6-(dimethylamino)pyrazin-2-yl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[6-(dimethylamino)pyrazin-2-yl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72913109
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name8-[6-(dimethylamino)pyrazin-2-yl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCC(C)CN1CC2(CCN(c3cncc(N(C)C)n3)CC2)CC1=O
InChIInChI=1S/C18H29N5O/c1-14(2)12-23-13-18(9-17(23)24)5-7-22(8-6-18)16-11-19-10-15(20-16)21(3)4/h10-11,14H,5-9,12-13H2,1-4H3
InChIKeySIQCKFASOOGWME-UHFFFAOYSA-N
XLogP2.02
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72877688
2-ethyl-8-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-3-one
CID 72866242
2-ethyl-8-[6-(1-hydroxyethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70755226
N,N-dimethyl-6-[4-(2-methylprop-2-enyl)piperazin-1-yl]pyrazin-2-amine
CID 134698846
2-[(4-chlorophenyl)methyl]-8-[6-(dimethylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-3-one
CID 72842368
8-(2-ethylsulfonylpropanoyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72843113
8-[6-(dimethylamino)pyrimidin-4-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72837459
8-[(2R)-2-fluoro-2-phenylacetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 97139736
4-[[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]methyl]benzonitrile
CID 72930130
2-(2-methylpropyl)-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane
CID 97484598
2-(2-methylpropyl)-8-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72846570
2-(3-phenylprop-2-enyl)-8-pyrazin-2-yl-2,8-diazaspiro[4.5]decan-3-one
CID 91940108

Frequently Asked Questions

What is the IUPAC name of 8-[6-(dimethylamino)pyrazin-2-yl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[6-(dimethylamino)pyrazin-2-yl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one (CID 72913109) is 8-[6-(dimethylamino)pyrazin-2-yl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[6-(dimethylamino)pyrazin-2-yl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[6-(dimethylamino)pyrazin-2-yl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one is CC(C)CN1CC2(CCN(c3cncc(N(C)C)n3)CC2)CC1=O.
What is the InChIKey of 8-[6-(dimethylamino)pyrazin-2-yl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is SIQCKFASOOGWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O/c1-14(2)12-23-13-18(9-17(23)24)5-7-22(8-6-18)16-11-19-10-15(20-16)21(3)4/h10-11,14H,5-9,12-13H2,1-4H3.
What are the key properties of 8-[6-(dimethylamino)pyrazin-2-yl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
8-[6-(dimethylamino)pyrazin-2-yl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 331.46 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-(dimethylamino)pyrazin-2-yl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72913109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).