9-[6-(dimethylamino)pyrazin-2-yl]-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

C20H31N5O2 — CID 72883170

IUPAC9-[6-(dimethylamino)pyrazin-2-yl]-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCN(C)c1cncc(N2CCC3(CCC(=O)N(CC4CCCO4)C3)CC2)n1
InChIInChI=1S/C20H31N5O2/c1-23(2)17-12-21-13-18(22-17)24-9-7-20(8-10-24)6-5-19(26)25(15-20)14-16-4-3-11-27-16/h12-13,16H,3-11,14-15H2,1-2H3
InChIKeyPKPVSLGVCADOLJ-UHFFFAOYSA-N
MW373.50 g/mol
LogP1.93
Rot. Bonds4

About 9-[6-(dimethylamino)pyrazin-2-yl]-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

9-[6-(dimethylamino)pyrazin-2-yl]-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72883170) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 9-[6-(dimethylamino)pyrazin-2-yl]-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[6-(dimethylamino)pyrazin-2-yl]-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72883170
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC Name9-[6-(dimethylamino)pyrazin-2-yl]-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCN(C)c1cncc(N2CCC3(CCC(=O)N(CC4CCCO4)C3)CC2)n1
InChIInChI=1S/C20H31N5O2/c1-23(2)17-12-21-13-18(22-17)24-9-7-20(8-10-24)6-5-19(26)25(15-20)14-16-4-3-11-27-16/h12-13,16H,3-11,14-15H2,1-2H3
InChIKeyPKPVSLGVCADOLJ-UHFFFAOYSA-N
XLogP1.93
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[6-(dimethylamino)pyrazin-2-yl]-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one with MolForge

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Related Compounds

2-[3-(Dimethylamino)pyrazin-2-YL]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72905062
9-[4-(2-methyl-1H-imidazol-1-yl)butanoyl]-2-(tetrahydrofuran-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72896634
[(5R)-10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]-[(2R)-oxolan-2-yl]methanone
CID 97502462
[(5S)-10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]-[(2R)-oxolan-2-yl]methanone
CID 97502463
(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-[(2R)-oxolan-2-yl]methanone
CID 131652611
(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-[(2S)-oxolan-2-yl]methanone
CID 133137539
2-Methoxy-1-(9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)ethanone
CID 97412092
(5S)-9-(3-isocyanopyrazin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 57970895
(5R)-9-(3-isocyanopyrazin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 58653209
(5R)-2-(oxan-4-yl)-9-pyrazin-2-yl-2,9-diazaspiro[4.5]decan-1-one
CID 141145679
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone
CID 36990549
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone
CID 36990550

Frequently Asked Questions

What is the IUPAC name of 9-[6-(dimethylamino)pyrazin-2-yl]-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[6-(dimethylamino)pyrazin-2-yl]-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72883170) is 9-[6-(dimethylamino)pyrazin-2-yl]-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[6-(dimethylamino)pyrazin-2-yl]-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[6-(dimethylamino)pyrazin-2-yl]-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one is CN(C)c1cncc(N2CCC3(CCC(=O)N(CC4CCCO4)C3)CC2)n1.
What is the InChIKey of 9-[6-(dimethylamino)pyrazin-2-yl]-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is PKPVSLGVCADOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O2/c1-23(2)17-12-21-13-18(22-17)24-9-7-20(8-10-24)6-5-19(26)25(15-20)14-16-4-3-11-27-16/h12-13,16H,3-11,14-15H2,1-2H3.
What are the key properties of 9-[6-(dimethylamino)pyrazin-2-yl]-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-[6-(dimethylamino)pyrazin-2-yl]-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 373.50 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-(dimethylamino)pyrazin-2-yl]-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72883170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).