6-ethyl-3-[(3S)-3-methyl-8-azaspiro[4.5]decan-8-yl]-1H-pyrazin-2-one

C16H25N3O — CID 156711747

IUPAC6-ethyl-3-[(3S)-3-methyl-8-azaspiro[4.5]decan-8-yl]-1H-pyrazin-2-one
SMILESCCc1cnc(N2CCC3(CC[C@H](C)C3)CC2)c(=O)[nH]1
InChIInChI=1S/C16H25N3O/c1-3-13-11-17-14(15(20)18-13)19-8-6-16(7-9-19)5-4-12(2)10-16/h11-12H,3-10H2,1-2H3,(H,18,20)/t12-/m0/s1
InChIKeyCMLYLVJEYWWKSD-LBPRGKRZSA-N
MW275.40 g/mol
LogP2.74
Rot. Bonds2

About 6-ethyl-3-[(3S)-3-methyl-8-azaspiro[4.5]decan-8-yl]-1H-pyrazin-2-one

6-ethyl-3-[(3S)-3-methyl-8-azaspiro[4.5]decan-8-yl]-1H-pyrazin-2-one (PubChem CID 156711747) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 6-ethyl-3-[(3S)-3-methyl-8-azaspiro[4.5]decan-8-yl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name6-ethyl-3-[(3S)-3-methyl-8-azaspiro[4.5]decan-8-yl]-1H-pyrazin-2-one
PubChem CID156711747
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name6-ethyl-3-[(3S)-3-methyl-8-azaspiro[4.5]decan-8-yl]-1H-pyrazin-2-one
SMILESCCc1cnc(N2CCC3(CC[C@H](C)C3)CC2)c(=O)[nH]1
InChIInChI=1S/C16H25N3O/c1-3-13-11-17-14(15(20)18-13)19-8-6-16(7-9-19)5-4-12(2)10-16/h11-12H,3-10H2,1-2H3,(H,18,20)/t12-/m0/s1
InChIKeyCMLYLVJEYWWKSD-LBPRGKRZSA-N
XLogP2.74
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-[(3S)-3-methyl-8-azaspiro[4.5]decan-8-yl]-1H-pyrazin-2-one?
The IUPAC name of 6-ethyl-3-[(3S)-3-methyl-8-azaspiro[4.5]decan-8-yl]-1H-pyrazin-2-one (CID 156711747) is 6-ethyl-3-[(3S)-3-methyl-8-azaspiro[4.5]decan-8-yl]-1H-pyrazin-2-one.
What is the SMILES notation for 6-ethyl-3-[(3S)-3-methyl-8-azaspiro[4.5]decan-8-yl]-1H-pyrazin-2-one?
The canonical SMILES for 6-ethyl-3-[(3S)-3-methyl-8-azaspiro[4.5]decan-8-yl]-1H-pyrazin-2-one is CCc1cnc(N2CCC3(CC[C@H](C)C3)CC2)c(=O)[nH]1.
What is the InChIKey of 6-ethyl-3-[(3S)-3-methyl-8-azaspiro[4.5]decan-8-yl]-1H-pyrazin-2-one?
The InChIKey is CMLYLVJEYWWKSD-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-13-11-17-14(15(20)18-13)19-8-6-16(7-9-19)5-4-12(2)10-16/h11-12H,3-10H2,1-2H3,(H,18,20)/t12-/m0/s1.
What are the key properties of 6-ethyl-3-[(3S)-3-methyl-8-azaspiro[4.5]decan-8-yl]-1H-pyrazin-2-one?
6-ethyl-3-[(3S)-3-methyl-8-azaspiro[4.5]decan-8-yl]-1H-pyrazin-2-one has a molecular weight of 275.40 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-[(3S)-3-methyl-8-azaspiro[4.5]decan-8-yl]-1H-pyrazin-2-one is sourced from PubChem (CID 156711747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).