2-ethyl-8-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-3-one

C20H30N6O2 — CID 72866242

IUPAC2-ethyl-8-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCCN1CC2(CCN(c3cncc(C(=O)N4CCN(C)CC4)n3)CC2)CC1=O
InChIInChI=1S/C20H30N6O2/c1-3-24-15-20(12-18(24)27)4-6-25(7-5-20)17-14-21-13-16(22-17)19(28)26-10-8-23(2)9-11-26/h13-14H,3-12,15H2,1-2H3
InChIKeyLPWIJVZNOSGJKW-UHFFFAOYSA-N
MW386.50 g/mol
LogP0.70
Rot. Bonds3

About 2-ethyl-8-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-3-one

2-ethyl-8-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72866242) has the molecular formula C20H30N6O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-ethyl-8-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-ethyl-8-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72866242
Molecular FormulaC20H30N6O2
Molecular Weight386.50 g/mol
Exact Mass386.24
IUPAC Name2-ethyl-8-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCCN1CC2(CCN(c3cncc(C(=O)N4CCN(C)CC4)n3)CC2)CC1=O
InChIInChI=1S/C20H30N6O2/c1-3-24-15-20(12-18(24)27)4-6-25(7-5-20)17-14-21-13-16(22-17)19(28)26-10-8-23(2)9-11-26/h13-14H,3-12,15H2,1-2H3
InChIKeyLPWIJVZNOSGJKW-UHFFFAOYSA-N
XLogP0.70
TPSA72.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1S,5R)-3-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid
CID 166623222
(4-methylpiperazin-1-yl)-[6-(4-propan-2-yl-1,4-diazepan-1-yl)pyrazin-2-yl]methanone
CID 134709347
[6-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 138379040
N-tert-butyl-2-[4-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]piperazin-1-yl]acetamide
CID 134714431
acetic acid;[6-[3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 171321646
piperidin-1-yl-(6-piperidin-1-ylpyrazin-2-yl)methanone
CID 165345728
(5S)-2-ethyl-7-(2-methylpropanoyl)-10-(pyrazine-2-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 97360222
8-[6-(dimethylamino)pyrazin-2-yl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72913109
8-(5-chlorothiophene-2-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
CID 70754635
2-ethyl-8-(2-pyrazin-2-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72860043
morpholin-4-yl-[6-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]methanone
CID 56872166
2-ethyl-8-[6-(1-hydroxyethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70755226

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-ethyl-8-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-3-one (CID 72866242) is 2-ethyl-8-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-ethyl-8-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-ethyl-8-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-3-one is CCN1CC2(CCN(c3cncc(C(=O)N4CCN(C)CC4)n3)CC2)CC1=O.
What is the InChIKey of 2-ethyl-8-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is LPWIJVZNOSGJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O2/c1-3-24-15-20(12-18(24)27)4-6-25(7-5-20)17-14-21-13-16(22-17)19(28)26-10-8-23(2)9-11-26/h13-14H,3-12,15H2,1-2H3.
What are the key properties of 2-ethyl-8-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-3-one?
2-ethyl-8-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 386.50 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-8-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72866242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).