(2R)-1-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-2-aminopentan-1-one

C13H25N3O — CID 93371854

IUPAC(2R)-1-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-2-aminopentan-1-one
SMILESCCC[C@@H](N)C(=O)N1CCN2CCCC[C@@H]2C1
InChIInChI=1S/C13H25N3O/c1-2-5-12(14)13(17)16-9-8-15-7-4-3-6-11(15)10-16/h11-12H,2-10,14H2,1H3/t11-,12-/m1/s1
InChIKeyYJFUSBSUUGWYBC-VXGBXAGGSA-N
MW239.36 g/mol
LogP0.81
Rot. Bonds3

About (2R)-1-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-2-aminopentan-1-one

(2R)-1-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-2-aminopentan-1-one (PubChem CID 93371854) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is (2R)-1-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-2-aminopentan-1-one.

Molecular Properties

Compound Name(2R)-1-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-2-aminopentan-1-one
PubChem CID93371854
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name(2R)-1-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-2-aminopentan-1-one
SMILESCCC[C@@H](N)C(=O)N1CCN2CCCC[C@@H]2C1
InChIInChI=1S/C13H25N3O/c1-2-5-12(14)13(17)16-9-8-15-7-4-3-6-11(15)10-16/h11-12H,2-10,14H2,1H3/t11-,12-/m1/s1
InChIKeyYJFUSBSUUGWYBC-VXGBXAGGSA-N
XLogP0.81
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-1-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-2-aminopentan-1-one with MolForge

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Related Compounds

octahydro-1H-pyrido[1,2-a]piperazin-1-one
CID 204214
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-cyclohexylacetamide
CID 49853576
N-((1S,9aS)-Octahydro-1H-quinolizin-1-yl)acetamide
CID 11644088
(S)-2,6-diamino-1-(piperidin-1-yl)hexan-1-one
CID 10443207
2,6-Diamino-1-piperidin-1-yl-hexan-1-one
CID 18398588
Hexahydro-1H-pyrido[1,2-A]pyrazin-3(2H)-one
CID 282263
Epiquinamide
CID 11241028
(9aS)-4,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,3-dione
CID 57327941
(9aR)-4,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,3-dione
CID 57327942
N-[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]propanamide
CID 71665848
N-[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-2-methylpropanamide
CID 71665850
N-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-2-methylpropanamide
CID 71716962

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-2-aminopentan-1-one?
The IUPAC name of (2R)-1-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-2-aminopentan-1-one (CID 93371854) is (2R)-1-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-2-aminopentan-1-one.
What is the SMILES notation for (2R)-1-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-2-aminopentan-1-one?
The canonical SMILES for (2R)-1-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-2-aminopentan-1-one is CCC[C@@H](N)C(=O)N1CCN2CCCC[C@@H]2C1.
What is the InChIKey of (2R)-1-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-2-aminopentan-1-one?
The InChIKey is YJFUSBSUUGWYBC-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H25N3O/c1-2-5-12(14)13(17)16-9-8-15-7-4-3-6-11(15)10-16/h11-12H,2-10,14H2,1H3/t11-,12-/m1/s1.
What are the key properties of (2R)-1-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-2-aminopentan-1-one?
(2R)-1-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-2-aminopentan-1-one has a molecular weight of 239.36 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-2-aminopentan-1-one is sourced from PubChem (CID 93371854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).