8-(3,6-dimethylpyrazin-2-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one

C18H28N4O2 — CID 72888045

IUPAC8-(3,6-dimethylpyrazin-2-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCOCCCN1CC2(CCN(c3nc(C)cnc3C)CC2)CC1=O
InChIInChI=1S/C18H28N4O2/c1-14-12-19-15(2)17(20-14)21-8-5-18(6-9-21)11-16(23)22(13-18)7-4-10-24-3/h12H,4-11,13H2,1-3H3
InChIKeyATKREBPDHYDLCH-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.95
Rot. Bonds5

About 8-(3,6-dimethylpyrazin-2-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one

8-(3,6-dimethylpyrazin-2-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72888045) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 8-(3,6-dimethylpyrazin-2-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(3,6-dimethylpyrazin-2-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72888045
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name8-(3,6-dimethylpyrazin-2-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCOCCCN1CC2(CCN(c3nc(C)cnc3C)CC2)CC1=O
InChIInChI=1S/C18H28N4O2/c1-14-12-19-15(2)17(20-14)21-8-5-18(6-9-21)11-16(23)22(13-18)7-4-10-24-3/h12H,4-11,13H2,1-3H3
InChIKeyATKREBPDHYDLCH-UHFFFAOYSA-N
XLogP1.95
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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)-7-(tetrahydro-2H-pyran-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72937531
1-[4-(2,5-Dimethylimidazol-1-yl)piperidin-1-yl]-2-(1-ethylpiperidin-4-yl)ethanone
CID 124047362
8-(3,6-Dimethyl-2-pyrazinyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70762560
(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
Tert-butyl 3-oxo-2-[5-(trifluoromethyl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 168208056
2-[5-(Trifluoromethyl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-3-one
CID 168210114
Tert-butyl 1-oxo-2-[6-(trifluoromethyl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 168210142
4-(Fluoromethyl)-1-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]pyrrolidin-2-one
CID 126899795

Frequently Asked Questions

What is the IUPAC name of 8-(3,6-dimethylpyrazin-2-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(3,6-dimethylpyrazin-2-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one (CID 72888045) is 8-(3,6-dimethylpyrazin-2-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(3,6-dimethylpyrazin-2-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(3,6-dimethylpyrazin-2-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one is COCCCN1CC2(CCN(c3nc(C)cnc3C)CC2)CC1=O.
What is the InChIKey of 8-(3,6-dimethylpyrazin-2-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is ATKREBPDHYDLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-14-12-19-15(2)17(20-14)21-8-5-18(6-9-21)11-16(23)22(13-18)7-4-10-24-3/h12H,4-11,13H2,1-3H3.
What are the key properties of 8-(3,6-dimethylpyrazin-2-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one?
8-(3,6-dimethylpyrazin-2-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 332.45 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,6-dimethylpyrazin-2-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72888045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).