3-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-6-propan-2-yl-1H-pyrazin-2-one

C17H28N4O — CID 166582781

IUPAC3-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-6-propan-2-yl-1H-pyrazin-2-one
SMILESCC(C)c1cnc(N2CCC3(CC2)C[C@@H](C)C[C@H]3N)c(=O)[nH]1
InChIInChI=1S/C17H28N4O/c1-11(2)13-10-19-15(16(22)20-13)21-6-4-17(5-7-21)9-12(3)8-14(17)18/h10-12,14H,4-9,18H2,1-3H3,(H,20,22)/t12-,14+/m0/s1
InChIKeyHNNWFVLJKZULJF-GXTWGEPZSA-N
MW304.44 g/mol
LogP2.24
Rot. Bonds2

About 3-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-6-propan-2-yl-1H-pyrazin-2-one

3-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-6-propan-2-yl-1H-pyrazin-2-one (PubChem CID 166582781) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 3-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-6-propan-2-yl-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-6-propan-2-yl-1H-pyrazin-2-one
PubChem CID166582781
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name3-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-6-propan-2-yl-1H-pyrazin-2-one
SMILESCC(C)c1cnc(N2CCC3(CC2)C[C@@H](C)C[C@H]3N)c(=O)[nH]1
InChIInChI=1S/C17H28N4O/c1-11(2)13-10-19-15(16(22)20-13)21-6-4-17(5-7-21)9-12(3)8-14(17)18/h10-12,14H,4-9,18H2,1-3H3,(H,20,22)/t12-,14+/m0/s1
InChIKeyHNNWFVLJKZULJF-GXTWGEPZSA-N
XLogP2.24
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-6-propan-2-yl-1H-pyrazin-2-one?
The IUPAC name of 3-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-6-propan-2-yl-1H-pyrazin-2-one (CID 166582781) is 3-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-6-propan-2-yl-1H-pyrazin-2-one.
What is the SMILES notation for 3-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-6-propan-2-yl-1H-pyrazin-2-one?
The canonical SMILES for 3-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-6-propan-2-yl-1H-pyrazin-2-one is CC(C)c1cnc(N2CCC3(CC2)C[C@@H](C)C[C@H]3N)c(=O)[nH]1.
What is the InChIKey of 3-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-6-propan-2-yl-1H-pyrazin-2-one?
The InChIKey is HNNWFVLJKZULJF-GXTWGEPZSA-N. The full InChI is InChI=1S/C17H28N4O/c1-11(2)13-10-19-15(16(22)20-13)21-6-4-17(5-7-21)9-12(3)8-14(17)18/h10-12,14H,4-9,18H2,1-3H3,(H,20,22)/t12-,14+/m0/s1.
What are the key properties of 3-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-6-propan-2-yl-1H-pyrazin-2-one?
3-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-6-propan-2-yl-1H-pyrazin-2-one has a molecular weight of 304.44 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-6-propan-2-yl-1H-pyrazin-2-one is sourced from PubChem (CID 166582781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).