1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone

C18H22FN5O — CID 56812296

IUPAC1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone
SMILESCN(CC(=O)N1CCN(Cc2ccccc2F)CC1)c1cnccn1
InChIInChI=1S/C18H22FN5O/c1-22(17-12-20-6-7-21-17)14-18(25)24-10-8-23(9-11-24)13-15-4-2-3-5-16(15)19/h2-7,12H,8-11,13-14H2,1H3
InChIKeyDPZUOFHDYYBVBP-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.40
Rot. Bonds5

About 1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone

1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone (PubChem CID 56812296) has the molecular formula C18H22FN5O and a molecular weight of 343.41 g/mol. Its IUPAC name is 1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone
PubChem CID56812296
Molecular FormulaC18H22FN5O
Molecular Weight343.41 g/mol
Exact Mass343.18
IUPAC Name1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone
SMILESCN(CC(=O)N1CCN(Cc2ccccc2F)CC1)c1cnccn1
InChIInChI=1S/C18H22FN5O/c1-22(17-12-20-6-7-21-17)14-18(25)24-10-8-23(9-11-24)13-15-4-2-3-5-16(15)19/h2-7,12H,8-11,13-14H2,1H3
InChIKeyDPZUOFHDYYBVBP-UHFFFAOYSA-N
XLogP1.40
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone
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N-(2,6-dimethylphenyl)-2-[[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide
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[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 31113719
2-(2-fluorophenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
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2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoacetic acid
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N-(2,6-dichlorophenyl)-2-[[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide
CID 25487251
2-(4-chlorophenyl)-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone
CID 113074065
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 78788101
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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone?
The IUPAC name of 1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone (CID 56812296) is 1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone.
What is the SMILES notation for 1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone?
The canonical SMILES for 1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone is CN(CC(=O)N1CCN(Cc2ccccc2F)CC1)c1cnccn1.
What is the InChIKey of 1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone?
The InChIKey is DPZUOFHDYYBVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O/c1-22(17-12-20-6-7-21-17)14-18(25)24-10-8-23(9-11-24)13-15-4-2-3-5-16(15)19/h2-7,12H,8-11,13-14H2,1H3.
What are the key properties of 1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone?
1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone has a molecular weight of 343.41 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone is sourced from PubChem (CID 56812296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).