2-benzyl-N-(2-morpholin-4-ylethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide

C21H26N4O3 — CID 91919767

IUPAC2-benzyl-N-(2-morpholin-4-ylethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)C1Cn2cccc2C(=O)N1Cc1ccccc1
InChIInChI=1S/C21H26N4O3/c26-20(22-8-10-23-11-13-28-14-12-23)19-16-24-9-4-7-18(24)21(27)25(19)15-17-5-2-1-3-6-17/h1-7,9,19H,8,10-16H2,(H,22,26)
InChIKeyAPCGBOXARRVAHD-UHFFFAOYSA-N
MW382.46 g/mol
LogP0.96
Rot. Bonds6

About 2-benzyl-N-(2-morpholin-4-ylethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide

2-benzyl-N-(2-morpholin-4-ylethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 91919767) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-benzyl-N-(2-morpholin-4-ylethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-(2-morpholin-4-ylethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide
PubChem CID91919767
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name2-benzyl-N-(2-morpholin-4-ylethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)C1Cn2cccc2C(=O)N1Cc1ccccc1
InChIInChI=1S/C21H26N4O3/c26-20(22-8-10-23-11-13-28-14-12-23)19-16-24-9-4-7-18(24)21(27)25(19)15-17-5-2-1-3-6-17/h1-7,9,19H,8,10-16H2,(H,22,26)
InChIKeyAPCGBOXARRVAHD-UHFFFAOYSA-N
XLogP0.96
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzyl-1-oxo-N-(2-pyridin-4-ylethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide
CID 91909173
(3S)-1-benzyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 93017350
N-(2-morpholin-4-ylethyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47717787
(2S)-1-[(2-chlorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
CID 92696544
1-benzyl-5-chloro-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide
CID 91938567
(4S)-3-[(4-cyanophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851166
methyl 4-[[(4S)-4-(2-morpholin-4-ylethylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]benzoate
CID 50851333
2-(2-methylpropyl)-3-(morpholine-4-carbonyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 91919757
1-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 51159436
(2S)-2-amino-N-(2-morpholin-4-ylethyl)-4-phenylbutanamide
CID 104983793
1-(1H-indol-3-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955773
5-(3-benzamidophenyl)-3-benzyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxamide
CID 42841060

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(2-morpholin-4-ylethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of 2-benzyl-N-(2-morpholin-4-ylethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide (CID 91919767) is 2-benzyl-N-(2-morpholin-4-ylethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for 2-benzyl-N-(2-morpholin-4-ylethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for 2-benzyl-N-(2-morpholin-4-ylethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide is O=C(NCCN1CCOCC1)C1Cn2cccc2C(=O)N1Cc1ccccc1.
What is the InChIKey of 2-benzyl-N-(2-morpholin-4-ylethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is APCGBOXARRVAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c26-20(22-8-10-23-11-13-28-14-12-23)19-16-24-9-4-7-18(24)21(27)25(19)15-17-5-2-1-3-6-17/h1-7,9,19H,8,10-16H2,(H,22,26).
What are the key properties of 2-benzyl-N-(2-morpholin-4-ylethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide?
2-benzyl-N-(2-morpholin-4-ylethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(2-morpholin-4-ylethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 91919767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).