N-(oxolan-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide

C13H23N3O2 — CID 115760770

IUPACN-(oxolan-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
SMILESO=C(NC1CCOC1)N1CCN2CCCCC2C1
InChIInChI=1S/C13H23N3O2/c17-13(14-11-4-8-18-10-11)16-7-6-15-5-2-1-3-12(15)9-16/h11-12H,1-10H2,(H,14,17)
InChIKeyXSNZKQANXIMQHL-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.65
Rot. Bonds1

About N-(oxolan-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide

N-(oxolan-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide (PubChem CID 115760770) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-(oxolan-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(oxolan-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
PubChem CID115760770
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-(oxolan-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
SMILESO=C(NC1CCOC1)N1CCN2CCCCC2C1
InChIInChI=1S/C13H23N3O2/c17-13(14-11-4-8-18-10-11)16-7-6-15-5-2-1-3-12(15)9-16/h11-12H,1-10H2,(H,14,17)
InChIKeyXSNZKQANXIMQHL-UHFFFAOYSA-N
XLogP0.65
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(oxolan-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide with MolForge

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Related Compounds

4-cyclopentyl-N-(oxan-4-yl)piperazine-1-carboxamide
CID 121184730
N-cyclohexyl-3-morpholin-4-ylpiperidine-1-carboxamide
CID 45248209
N-cyclohexyl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide
CID 49289387
6-oxo-N-(oxolan-3-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide
CID 116657207
3,4-dimethyl-N-(oxolan-3-yl)piperidine-1-carboxamide
CID 115871728
2-methyl-N-(oxolan-3-yl)-1,4-oxazepane-4-carboxamide
CID 115760659
N-cyclohexyl-4-(oxetan-3-yl)piperazine-1-carboxamide
CID 153404857
N-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 115585902
N-cyclohexyl-4-(oxetan-3-yl)piperazine-1-carboxamide;ethane
CID 153404856
(3R)-1-(oxan-3-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81120821
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 78942270
(3R)-N-(1-methylsulfonylpiperidin-4-yl)-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 95168195

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of N-(oxolan-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide (CID 115760770) is N-(oxolan-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-(oxolan-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for N-(oxolan-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide is O=C(NC1CCOC1)N1CCN2CCCCC2C1.
What is the InChIKey of N-(oxolan-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide?
The InChIKey is XSNZKQANXIMQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c17-13(14-11-4-8-18-10-11)16-7-6-15-5-2-1-3-12(15)9-16/h11-12H,1-10H2,(H,14,17).
What are the key properties of N-(oxolan-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide?
N-(oxolan-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 115760770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).