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

C14H24N2O — CID 79934846

IUPAC3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclohexan-1-one
SMILESO=C1CCCC(N2CCN3CCCCC3C2)C1
InChIInChI=1S/C14H24N2O/c17-14-6-3-5-12(10-14)16-9-8-15-7-2-1-4-13(15)11-16/h12-13H,1-11H2
InChIKeyDGTUMFRLXMJJLZ-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.67
Rot. Bonds1

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

3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclohexan-1-one (PubChem CID 79934846) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclohexan-1-one.

Molecular Properties

Compound Name3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclohexan-1-one
PubChem CID79934846
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclohexan-1-one
SMILESO=C1CCCC(N2CCN3CCCCC3C2)C1
InChIInChI=1S/C14H24N2O/c17-14-6-3-5-12(10-14)16-9-8-15-7-2-1-4-13(15)11-16/h12-13H,1-11H2
InChIKeyDGTUMFRLXMJJLZ-UHFFFAOYSA-N
XLogP1.67
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclopentan-1-one
CID 79934767
3-pyrrolidin-1-ylcyclopentan-1-one
CID 79643269
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclohexan-1-one
CID 114762273
3-(3-aminopyrrolidin-1-yl)cyclohexan-1-one
CID 79619295
3-methyl-1-(3-oxocyclohexyl)piperidin-4-one
CID 114501314
1-azabicyclo[9.1.0]dodecane
CID 87228787
2-(1-cyclopropylpyrrolidin-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929879
2-cyclobutyl-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79926329
3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]cyclohexan-1-one
CID 112626556
(3R)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]cyclohexan-1-one
CID 124516728
3-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]cyclopentan-1-one
CID 107223629
3,4,6,7,9,9a-hexahydro-1H-quinolizine-2,8-dione
CID 164802583

Frequently Asked Questions

What is the IUPAC name of 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclohexan-1-one?
The IUPAC name of 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclohexan-1-one (CID 79934846) is 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclohexan-1-one.
What is the SMILES notation for 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclohexan-1-one?
The canonical SMILES for 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclohexan-1-one is O=C1CCCC(N2CCN3CCCCC3C2)C1.
What is the InChIKey of 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclohexan-1-one?
The InChIKey is DGTUMFRLXMJJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c17-14-6-3-5-12(10-14)16-9-8-15-7-2-1-4-13(15)11-16/h12-13H,1-11H2.
What are the key properties of 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclohexan-1-one?
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclohexan-1-one has a molecular weight of 236.36 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclohexan-1-one is sourced from PubChem (CID 79934846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).