3-[4-(2-methylphenyl)piperazin-1-yl]-1-(2-methylpropyl)pyrazin-2-one

C19H26N4O — CID 133424216

IUPAC3-[4-(2-methylphenyl)piperazin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
SMILESCc1ccccc1N1CCN(c2nccn(CC(C)C)c2=O)CC1
InChIInChI=1S/C19H26N4O/c1-15(2)14-23-9-8-20-18(19(23)24)22-12-10-21(11-13-22)17-7-5-4-6-16(17)3/h4-9,15H,10-14H2,1-3H3
InChIKeyNYVXVFPUHWWHSG-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.53
Rot. Bonds4

About 3-[4-(2-methylphenyl)piperazin-1-yl]-1-(2-methylpropyl)pyrazin-2-one

3-[4-(2-methylphenyl)piperazin-1-yl]-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 133424216) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-[4-(2-methylphenyl)piperazin-1-yl]-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-[4-(2-methylphenyl)piperazin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
PubChem CID133424216
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name3-[4-(2-methylphenyl)piperazin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
SMILESCc1ccccc1N1CCN(c2nccn(CC(C)C)c2=O)CC1
InChIInChI=1S/C19H26N4O/c1-15(2)14-23-9-8-20-18(19(23)24)22-12-10-21(11-13-22)17-7-5-4-6-16(17)3/h4-9,15H,10-14H2,1-3H3
InChIKeyNYVXVFPUHWWHSG-UHFFFAOYSA-N
XLogP2.53
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(2-chloroethyl)piperazin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 63392127
N-(2,3-dimethylphenyl)-2-[4-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperazin-1-yl]acetamide
CID 133424314
1-ethyl-3-[4-(2-hydroxyphenyl)piperazin-1-yl]pyrazin-2-one
CID 133447156
3-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 133424207
3-(4-hydroxy-4-methylazepan-1-yl)-1-(2-methylpropyl)pyrazin-2-one
CID 107407490
1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one
CID 63810541
3-[(2-methylphenyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62938286
3-[4-(2-hydroxyethoxy)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 82685587
3-[3-(chloromethyl)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 55184247
3-(2-ethylimidazol-1-yl)-1-(2-methylpropyl)pyrazin-2-one
CID 55238081
4-methyl-1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]pyrrolidine-3-carboxylic acid
CID 63721569
3-[3-(1-aminoethyl)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 63853331

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylphenyl)piperazin-1-yl]-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-[4-(2-methylphenyl)piperazin-1-yl]-1-(2-methylpropyl)pyrazin-2-one (CID 133424216) is 3-[4-(2-methylphenyl)piperazin-1-yl]-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-[4-(2-methylphenyl)piperazin-1-yl]-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-[4-(2-methylphenyl)piperazin-1-yl]-1-(2-methylpropyl)pyrazin-2-one is Cc1ccccc1N1CCN(c2nccn(CC(C)C)c2=O)CC1.
What is the InChIKey of 3-[4-(2-methylphenyl)piperazin-1-yl]-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is NYVXVFPUHWWHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-15(2)14-23-9-8-20-18(19(23)24)22-12-10-21(11-13-22)17-7-5-4-6-16(17)3/h4-9,15H,10-14H2,1-3H3.
What are the key properties of 3-[4-(2-methylphenyl)piperazin-1-yl]-1-(2-methylpropyl)pyrazin-2-one?
3-[4-(2-methylphenyl)piperazin-1-yl]-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 326.44 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylphenyl)piperazin-1-yl]-1-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 133424216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).