2-(3-methylpyrazin-2-yl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one

C18H26N4O2 — CID 72937531

IUPAC2-(3-methylpyrazin-2-yl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1nccnc1N1CCC2(CCCN(C3CCOCC3)C2=O)C1
InChIInChI=1S/C18H26N4O2/c1-14-16(20-8-7-19-14)21-10-6-18(13-21)5-2-9-22(17(18)23)15-3-11-24-12-4-15/h7-8,15H,2-6,9-13H2,1H3
InChIKeyLZSROEQSUISIFE-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.78
Rot. Bonds2

About 2-(3-methylpyrazin-2-yl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one

2-(3-methylpyrazin-2-yl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72937531) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-(3-methylpyrazin-2-yl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(3-methylpyrazin-2-yl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72937531
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name2-(3-methylpyrazin-2-yl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1nccnc1N1CCC2(CCCN(C3CCOCC3)C2=O)C1
InChIInChI=1S/C18H26N4O2/c1-14-16(20-8-7-19-14)21-10-6-18(13-21)5-2-9-22(17(18)23)15-3-11-24-12-4-15/h7-8,15H,2-6,9-13H2,1H3
InChIKeyLZSROEQSUISIFE-UHFFFAOYSA-N
XLogP1.78
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,6-dimethylpyrazin-2-yl)-7-(tetrahydro-2H-pyran-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72843219
2-[(3-methyl-2-pyrazinyl)methyl]-7-(tetrahydro-2H-pyran-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72864737
(6S)-8-(3,6-dimethylpyrazin-2-yl)-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 96579994
(5S)-7-(cyclobutylmethyl)-2-(3-methylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97120243
9-(3,6-dimethylpyrazin-2-yl)-2-[(3S)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97136804
(5S)-7-(cyclobutylmethyl)-2-(3,6-dimethylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97200571
3-(4-{[1-(Methoxymethyl)cyclobutyl]carbonyl}piperazin-1-yl)-2,5-dimethylpyrazine
CID 50951522
8-(3,6-Dimethylpyrazin-2-yl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one
CID 16739716
(5S)-9-(3-isocyanopyrazin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 57970895
(5S)-9-(3-chloropyrazin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 57970961
(5R)-9-(3-isocyanopyrazin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 58653209
(5R)-9-(3-chloropyrazin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 58653536

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpyrazin-2-yl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(3-methylpyrazin-2-yl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one (CID 72937531) is 2-(3-methylpyrazin-2-yl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(3-methylpyrazin-2-yl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(3-methylpyrazin-2-yl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one is Cc1nccnc1N1CCC2(CCCN(C3CCOCC3)C2=O)C1.
What is the InChIKey of 2-(3-methylpyrazin-2-yl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is LZSROEQSUISIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-14-16(20-8-7-19-14)21-10-6-18(13-21)5-2-9-22(17(18)23)15-3-11-24-12-4-15/h7-8,15H,2-6,9-13H2,1H3.
What are the key properties of 2-(3-methylpyrazin-2-yl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
2-(3-methylpyrazin-2-yl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 330.43 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpyrazin-2-yl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72937531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).