(5S)-2-(3,6-dimethylpyrazin-2-yl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one

C16H24N4O2 — CID 97129015

IUPAC(5S)-2-(3,6-dimethylpyrazin-2-yl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cnc(C)c(N2CC[C@@]3(CCCN(CCO)C3=O)C2)n1
InChIInChI=1S/C16H24N4O2/c1-12-10-17-13(2)14(18-12)20-7-5-16(11-20)4-3-6-19(8-9-21)15(16)22/h10,21H,3-9,11H2,1-2H3/t16-/m0/s1
InChIKeyGDBRTMAXHHLRMZ-INIZCTEOSA-N
MW304.39 g/mol
LogP0.90
Rot. Bonds3

About (5S)-2-(3,6-dimethylpyrazin-2-yl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one

(5S)-2-(3,6-dimethylpyrazin-2-yl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97129015) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is (5S)-2-(3,6-dimethylpyrazin-2-yl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-2-(3,6-dimethylpyrazin-2-yl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97129015
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name(5S)-2-(3,6-dimethylpyrazin-2-yl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cnc(C)c(N2CC[C@@]3(CCCN(CCO)C3=O)C2)n1
InChIInChI=1S/C16H24N4O2/c1-12-10-17-13(2)14(18-12)20-7-5-16(11-20)4-3-6-19(8-9-21)15(16)22/h10,21H,3-9,11H2,1-2H3/t16-/m0/s1
InChIKeyGDBRTMAXHHLRMZ-INIZCTEOSA-N
XLogP0.90
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.90
H-Bond Donors ≤ 51
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-(Dimethylamino)pyrazin-2-YL]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72905062
2-(3-methyl-2-pyrazinyl)-7-(tetrahydro-2H-pyran-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72937531
2-(2-hydroxypropyl)-9-[(1-methyl-1H-imidazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72847828
8-(3,6-Dimethyl-2-pyrazinyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70762560
(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
8-(3,6-Dimethylpyrazin-2-yl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one
CID 16739716
[1-(3,6-Dimethylpyrazin-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 57941996
[1-(3,6-Dimethylpyrazin-2-yl)piperidin-4-yl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 57942023
3-[(5S)-2-(oxan-4-yl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrazine-2-carbonitrile
CID 66722416

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(3,6-dimethylpyrazin-2-yl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-2-(3,6-dimethylpyrazin-2-yl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 97129015) is (5S)-2-(3,6-dimethylpyrazin-2-yl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-2-(3,6-dimethylpyrazin-2-yl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-2-(3,6-dimethylpyrazin-2-yl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one is Cc1cnc(C)c(N2CC[C@@]3(CCCN(CCO)C3=O)C2)n1.
What is the InChIKey of (5S)-2-(3,6-dimethylpyrazin-2-yl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is GDBRTMAXHHLRMZ-INIZCTEOSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-12-10-17-13(2)14(18-12)20-7-5-16(11-20)4-3-6-19(8-9-21)15(16)22/h10,21H,3-9,11H2,1-2H3/t16-/m0/s1.
What are the key properties of (5S)-2-(3,6-dimethylpyrazin-2-yl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
(5S)-2-(3,6-dimethylpyrazin-2-yl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 304.39 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(3,6-dimethylpyrazin-2-yl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97129015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).