7-acetamido-4-oxo-N-(2-phenylethyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide

C18H24N4O3 — CID 171143225

IUPAC7-acetamido-4-oxo-N-(2-phenylethyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCC(=O)NC1CC2CN(C(=O)NCCc3ccccc3)CC(=O)N2C1
InChIInChI=1S/C18H24N4O3/c1-13(23)20-15-9-16-11-21(12-17(24)22(16)10-15)18(25)19-8-7-14-5-3-2-4-6-14/h2-6,15-16H,7-12H2,1H3,(H,19,25)(H,20,23)
InChIKeyOZRMTRDDMWMWGU-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.36
Rot. Bonds4

About 7-acetamido-4-oxo-N-(2-phenylethyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide

7-acetamido-4-oxo-N-(2-phenylethyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 171143225) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 7-acetamido-4-oxo-N-(2-phenylethyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name7-acetamido-4-oxo-N-(2-phenylethyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID171143225
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name7-acetamido-4-oxo-N-(2-phenylethyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCC(=O)NC1CC2CN(C(=O)NCCc3ccccc3)CC(=O)N2C1
InChIInChI=1S/C18H24N4O3/c1-13(23)20-15-9-16-11-21(12-17(24)22(16)10-15)18(25)19-8-7-14-5-3-2-4-6-14/h2-6,15-16H,7-12H2,1H3,(H,19,25)(H,20,23)
InChIKeyOZRMTRDDMWMWGU-UHFFFAOYSA-N
XLogP0.36
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-acetamido-4-oxo-N-(2-phenylethyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-1-(2-phenylethylcarbamoyl)piperidine-3-carboxylic acid
CID 122121841
4-methyl-1-(2-phenylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63721294
2-[1-(2-phenylethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682805
1-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea
CID 94796717
3-[(6-methyl-2-pyridinyl)oxy]-N-(2-phenylethyl)azetidine-1-carboxamide
CID 122249689
3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-(2-phenylethyl)pyrrolidine-1-carboxamide
CID 163339671
(3S,4R)-3-(dimethylamino)-N-(2-phenylethyl)-4-propan-2-ylpyrrolidine-1-carboxamide
CID 72857475
3-(2,5-dioxoimidazolidin-1-yl)-N-(3-phenylpropyl)pyrrolidine-1-carboxamide
CID 121160042
(3aR,6aS)-5-ethyl-6-oxo-2-(2-phenylethylcarbamoyl)-1,3,4,6a-tetrahydropyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 56891921
4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 92731410
1-(1-methylpiperidin-4-yl)-3-(2-phenylethyl)urea
CID 11499904
(1S,5R)-3-methylsulfanyl-N-(2-phenylethyl)-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 129409721

Frequently Asked Questions

What is the IUPAC name of 7-acetamido-4-oxo-N-(2-phenylethyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 7-acetamido-4-oxo-N-(2-phenylethyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide (CID 171143225) is 7-acetamido-4-oxo-N-(2-phenylethyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 7-acetamido-4-oxo-N-(2-phenylethyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 7-acetamido-4-oxo-N-(2-phenylethyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide is CC(=O)NC1CC2CN(C(=O)NCCc3ccccc3)CC(=O)N2C1.
What is the InChIKey of 7-acetamido-4-oxo-N-(2-phenylethyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is OZRMTRDDMWMWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-13(23)20-15-9-16-11-21(12-17(24)22(16)10-15)18(25)19-8-7-14-5-3-2-4-6-14/h2-6,15-16H,7-12H2,1H3,(H,19,25)(H,20,23).
What are the key properties of 7-acetamido-4-oxo-N-(2-phenylethyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide?
7-acetamido-4-oxo-N-(2-phenylethyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetamido-4-oxo-N-(2-phenylethyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 171143225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).