2-(4-aminopiperidin-1-yl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone

C16H30N4O — CID 79921592

IUPAC2-(4-aminopiperidin-1-yl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone
SMILESCC1CN2CCCCC2CN1C(=O)CN1CCC(N)CC1
InChIInChI=1S/C16H30N4O/c1-13-10-19-7-3-2-4-15(19)11-20(13)16(21)12-18-8-5-14(17)6-9-18/h13-15H,2-12,17H2,1H3
InChIKeyALXNQVZSGYXLJU-UHFFFAOYSA-N
MW294.44 g/mol
LogP0.49
Rot. Bonds2

About 2-(4-aminopiperidin-1-yl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone

2-(4-aminopiperidin-1-yl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone (PubChem CID 79921592) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone
PubChem CID79921592
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name2-(4-aminopiperidin-1-yl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone
SMILESCC1CN2CCCCC2CN1C(=O)CN1CCC(N)CC1
InChIInChI=1S/C16H30N4O/c1-13-10-19-7-3-2-4-15(19)11-20(13)16(21)12-18-8-5-14(17)6-9-18/h13-15H,2-12,17H2,1H3
InChIKeyALXNQVZSGYXLJU-UHFFFAOYSA-N
XLogP0.49
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone (CID 79921592) is 2-(4-aminopiperidin-1-yl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone is CC1CN2CCCCC2CN1C(=O)CN1CCC(N)CC1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone?
The InChIKey is ALXNQVZSGYXLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-13-10-19-7-3-2-4-15(19)11-20(13)16(21)12-18-8-5-14(17)6-9-18/h13-15H,2-12,17H2,1H3.
What are the key properties of 2-(4-aminopiperidin-1-yl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone?
2-(4-aminopiperidin-1-yl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone has a molecular weight of 294.44 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone is sourced from PubChem (CID 79921592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).