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

C20H29N3O2 — CID 136513230

IUPACN-[2-(3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxoethyl]-2-phenylacetamide
SMILESCCC1CN2CCCCC2CN1C(=O)CNC(=O)Cc1ccccc1
InChIInChI=1S/C20H29N3O2/c1-2-17-14-22-11-7-6-10-18(22)15-23(17)20(25)13-21-19(24)12-16-8-4-3-5-9-16/h3-5,8-9,17-18H,2,6-7,10-15H2,1H3,(H,21,24)
InChIKeyKSROGKLMUFQUGX-UHFFFAOYSA-N
MW343.47 g/mol
LogP1.82
Rot. Bonds5

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

N-[2-(3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxoethyl]-2-phenylacetamide (PubChem CID 136513230) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[2-(3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxoethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxoethyl]-2-phenylacetamide
PubChem CID136513230
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-[2-(3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxoethyl]-2-phenylacetamide
SMILESCCC1CN2CCCCC2CN1C(=O)CNC(=O)Cc1ccccc1
InChIInChI=1S/C20H29N3O2/c1-2-17-14-22-11-7-6-10-18(22)15-23(17)20(25)13-21-19(24)12-16-8-4-3-5-9-16/h3-5,8-9,17-18H,2,6-7,10-15H2,1H3,(H,21,24)
InChIKeyKSROGKLMUFQUGX-UHFFFAOYSA-N
XLogP1.82
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 99609425
N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 119631388
methyl 1-[2-[(2-phenylacetyl)amino]acetyl]piperidine-4-carboxylate
CID 51166527
benzyl 3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxylate
CID 130159978
N-[2-[2-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 42920541
2-acetamido-N-[2-[(2R)-2-benzylpiperidin-1-yl]-2-oxoethyl]acetamide
CID 95286390
N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 119644723
N-phenyl-1-[2-[(2-phenylacetyl)amino]acetyl]pyrrolidine-2-carboxamide
CID 119032269
N-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 119593240
N-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 119619460
3-amino-1-(3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
CID 120873014
3-ethyl-2-(2-propylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79917902

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxoethyl]-2-phenylacetamide?
The IUPAC name of N-[2-(3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxoethyl]-2-phenylacetamide (CID 136513230) is N-[2-(3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxoethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxoethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-(3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxoethyl]-2-phenylacetamide is CCC1CN2CCCCC2CN1C(=O)CNC(=O)Cc1ccccc1.
What is the InChIKey of N-[2-(3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxoethyl]-2-phenylacetamide?
The InChIKey is KSROGKLMUFQUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-2-17-14-22-11-7-6-10-18(22)15-23(17)20(25)13-21-19(24)12-16-8-4-3-5-9-16/h3-5,8-9,17-18H,2,6-7,10-15H2,1H3,(H,21,24).
What are the key properties of N-[2-(3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxoethyl]-2-phenylacetamide?
N-[2-(3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxoethyl]-2-phenylacetamide has a molecular weight of 343.47 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxoethyl]-2-phenylacetamide is sourced from PubChem (CID 136513230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).