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

C19H28N4O2 — CID 72843219

IUPAC2-(3,6-dimethylpyrazin-2-yl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cnc(C)c(N2CCC3(CCCN(C4CCOCC4)C3=O)C2)n1
InChIInChI=1S/C19H28N4O2/c1-14-12-20-15(2)17(21-14)22-9-7-19(13-22)6-3-8-23(18(19)24)16-4-10-25-11-5-16/h12,16H,3-11,13H2,1-2H3
InChIKeySLEBIMMJPPTVCM-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.09
Rot. Bonds2

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

2-(3,6-dimethylpyrazin-2-yl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72843219) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-(3,6-dimethylpyrazin-2-yl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(3,6-dimethylpyrazin-2-yl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72843219
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name2-(3,6-dimethylpyrazin-2-yl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cnc(C)c(N2CCC3(CCCN(C4CCOCC4)C3=O)C2)n1
InChIInChI=1S/C19H28N4O2/c1-14-12-20-15(2)17(21-14)22-9-7-19(13-22)6-3-8-23(18(19)24)16-4-10-25-11-5-16/h12,16H,3-11,13H2,1-2H3
InChIKeySLEBIMMJPPTVCM-UHFFFAOYSA-N
XLogP2.09
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-methyl-2-pyrazinyl)methyl]-7-(tetrahydro-2H-pyran-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72864737
2-(3-methyl-2-pyrazinyl)-7-(tetrahydro-2H-pyran-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72937531
(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
4-[1-(3,6-Dimethylpyrazin-2-yl)piperidine-4-carbonyl]morpholine
CID 11551245
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

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dimethylpyrazin-2-yl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(3,6-dimethylpyrazin-2-yl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one (CID 72843219) is 2-(3,6-dimethylpyrazin-2-yl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(3,6-dimethylpyrazin-2-yl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(3,6-dimethylpyrazin-2-yl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one is Cc1cnc(C)c(N2CCC3(CCCN(C4CCOCC4)C3=O)C2)n1.
What is the InChIKey of 2-(3,6-dimethylpyrazin-2-yl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is SLEBIMMJPPTVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-14-12-20-15(2)17(21-14)22-9-7-19(13-22)6-3-8-23(18(19)24)16-4-10-25-11-5-16/h12,16H,3-11,13H2,1-2H3.
What are the key properties of 2-(3,6-dimethylpyrazin-2-yl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
2-(3,6-dimethylpyrazin-2-yl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 344.46 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dimethylpyrazin-2-yl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72843219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).