2-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide

C18H25N3O — CID 20980021

IUPAC2-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN2CCN3CCC=C3C2)c(C)c1
InChIInChI=1S/C18H25N3O/c1-13-9-14(2)18(15(3)10-13)19-17(22)12-20-7-8-21-6-4-5-16(21)11-20/h5,9-10H,4,6-8,11-12H2,1-3H3,(H,19,22)
InChIKeyOFPRVIPCUJBDCV-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.46
Rot. Bonds3

About 2-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide

2-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 20980021) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID20980021
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name2-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN2CCN3CCC=C3C2)c(C)c1
InChIInChI=1S/C18H25N3O/c1-13-9-14(2)18(15(3)10-13)19-17(22)12-20-7-8-21-6-4-5-16(21)11-20/h5,9-10H,4,6-8,11-12H2,1-3H3,(H,19,22)
InChIKeyOFPRVIPCUJBDCV-UHFFFAOYSA-N
XLogP2.46
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-oxopiperazin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 2656984
2-[16-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 3090863
ethyl 4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperazine-1-carboxylate;hydrochloride
CID 3066137
2-[4-(2-hydroxycyclopentyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 139001577
N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
2-(4-pyridazin-3-ylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 138992592
1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904700
N-(2,6-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34731939
N-(2-chloro-4,6-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34733225
2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 8930661
2-[[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 17493759
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 2653141

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide (CID 20980021) is 2-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CN2CCN3CCC=C3C2)c(C)c1.
What is the InChIKey of 2-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is OFPRVIPCUJBDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-13-9-14(2)18(15(3)10-13)19-17(22)12-20-7-8-21-6-4-5-16(21)11-20/h5,9-10H,4,6-8,11-12H2,1-3H3,(H,19,22).
What are the key properties of 2-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide?
2-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 299.42 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 20980021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).