3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-ethyl-N-(2-methylphenyl)propanamide

C20H31N3O — CID 91835004

IUPAC3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-ethyl-N-(2-methylphenyl)propanamide
SMILESCCN(C(=O)CCN1CCN2CCCCC2C1)c1ccccc1C
InChIInChI=1S/C20H31N3O/c1-3-23(19-10-5-4-8-17(19)2)20(24)11-13-21-14-15-22-12-7-6-9-18(22)16-21/h4-5,8,10,18H,3,6-7,9,11-16H2,1-2H3
InChIKeyYDETUFQQLWOEPH-UHFFFAOYSA-N
MW329.49 g/mol
LogP2.91
Rot. Bonds5

About 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-ethyl-N-(2-methylphenyl)propanamide

3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-ethyl-N-(2-methylphenyl)propanamide (PubChem CID 91835004) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-ethyl-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-ethyl-N-(2-methylphenyl)propanamide
PubChem CID91835004
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-ethyl-N-(2-methylphenyl)propanamide
SMILESCCN(C(=O)CCN1CCN2CCCCC2C1)c1ccccc1C
InChIInChI=1S/C20H31N3O/c1-3-23(19-10-5-4-8-17(19)2)20(24)11-13-21-14-15-22-12-7-6-9-18(22)16-21/h4-5,8,10,18H,3,6-7,9,11-16H2,1-2H3
InChIKeyYDETUFQQLWOEPH-UHFFFAOYSA-N
XLogP2.91
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-[(3R)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide
CID 124757798
3-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-N-ethyl-N-(2-methylphenyl)propanamide
CID 50968149
N,N-dimethyl-3-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]propanamide
CID 95713260
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-ethyl-N-naphthalen-1-ylacetamide
CID 49235557
2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-ethyl-N-(2-methylphenyl)acetamide
CID 79411167
2-(3-aminopiperidin-1-yl)-N-ethyl-N-(2-methylphenyl)acetamide
CID 61297602
N-ethyl-2-(3-hydroxyazetidin-1-yl)-N-(2-methylphenyl)acetamide
CID 63282299
N-(3-amino-3-sulfanylidenepropyl)-3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-methylpropanamide
CID 79918805
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(4-bromophenyl)propan-1-one
CID 79919095
1-[3-(2-methylphenyl)propyl]-3-(4-methylpiperazin-1-yl)azepane
CID 166204017
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-piperazin-1-ylpropan-1-one
CID 79932789
2-(2-phenylethyl)-3,4,6,7,8,9,10,10a-octahydro-1H-pyrazino[1,2-a]azepine
CID 13162074

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)-N-ethyl-N-(2-methylphenyl)propanamide?
The IUPAC name of 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-ethyl-N-(2-methylphenyl)propanamide (CID 91835004) is 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-ethyl-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-ethyl-N-(2-methylphenyl)propanamide?
The canonical SMILES for 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-ethyl-N-(2-methylphenyl)propanamide is CCN(C(=O)CCN1CCN2CCCCC2C1)c1ccccc1C.
What is the InChIKey of 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-ethyl-N-(2-methylphenyl)propanamide?
The InChIKey is YDETUFQQLWOEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-3-23(19-10-5-4-8-17(19)2)20(24)11-13-21-14-15-22-12-7-6-9-18(22)16-21/h4-5,8,10,18H,3,6-7,9,11-16H2,1-2H3.
What are the key properties of 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-ethyl-N-(2-methylphenyl)propanamide?
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-ethyl-N-(2-methylphenyl)propanamide has a molecular weight of 329.49 g/mol, XLogP of 2.91, 5 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)-N-ethyl-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 91835004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).