2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone

C21H28N4O — CID 42927291

IUPAC2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
SMILESCc1cccc(N2CCN(C(=O)CN3CCn4cccc4C3C)CC2)c1
InChIInChI=1S/C21H28N4O/c1-17-5-3-6-19(15-17)22-9-12-24(13-10-22)21(26)16-25-14-11-23-8-4-7-20(23)18(25)2/h3-8,15,18H,9-14,16H2,1-2H3
InChIKeyFAQSTFZQGNCAJC-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.52
Rot. Bonds3

About 2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone

2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone (PubChem CID 42927291) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
PubChem CID42927291
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
SMILESCc1cccc(N2CCN(C(=O)CN3CCn4cccc4C3C)CC2)c1
InChIInChI=1S/C21H28N4O/c1-17-5-3-6-19(15-17)22-9-12-24(13-10-22)21(26)16-25-14-11-23-8-4-7-20(23)18(25)2/h3-8,15,18H,9-14,16H2,1-2H3
InChIKeyFAQSTFZQGNCAJC-UHFFFAOYSA-N
XLogP2.52
TPSA31.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethylmorpholin-4-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 134007332
2-chloro-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 4741226
1-[4-(3-methylphenyl)piperazin-1-yl]-2-(3-methylpiperidin-1-yl)ethanone
CID 109004012
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 57442462
2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119837589
2-imidazol-1-yl-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 110854224
2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide
CID 94180479
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 51339468
2-(N-methylanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 41335038
4-[4-(3-methylphenyl)piperazin-1-yl]-4-oxobutanoate
CID 6950012
1-[4-(3-methylphenyl)piperazin-1-yl]-3-(1-methylpyrrol-2-yl)propan-1-one
CID 110700701
N-cyclopropyl-2-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30649285

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone (CID 42927291) is 2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone is Cc1cccc(N2CCN(C(=O)CN3CCn4cccc4C3C)CC2)c1.
What is the InChIKey of 2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone?
The InChIKey is FAQSTFZQGNCAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-17-5-3-6-19(15-17)22-9-12-24(13-10-22)21(26)16-25-14-11-23-8-4-7-20(23)18(25)2/h3-8,15,18H,9-14,16H2,1-2H3.
What are the key properties of 2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone?
2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone has a molecular weight of 352.48 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 42927291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).