2-phenyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one

C17H20N4O — CID 71322934

IUPAC2-phenyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(C(=O)N1CCN(c2cnccn2)CC1)c1ccccc1
InChIInChI=1S/C17H20N4O/c1-14(15-5-3-2-4-6-15)17(22)21-11-9-20(10-12-21)16-13-18-7-8-19-16/h2-8,13-14H,9-12H2,1H3
InChIKeyLQFWSSZSWKQUAY-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.93
Rot. Bonds3

About 2-phenyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one

2-phenyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 71322934) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-phenyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-phenyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
PubChem CID71322934
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name2-phenyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(C(=O)N1CCN(c2cnccn2)CC1)c1ccccc1
InChIInChI=1S/C17H20N4O/c1-14(15-5-3-2-4-6-15)17(22)21-11-9-20(10-12-21)16-13-18-7-8-19-16/h2-8,13-14H,9-12H2,1H3
InChIKeyLQFWSSZSWKQUAY-UHFFFAOYSA-N
XLogP1.93
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-chloro-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 93378573
(2R)-2-phenyl-1-[4-[(2R)-2-phenylpropanoyl]piperazin-1-yl]propan-1-one
CID 94855656
2-amino-3-methyl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 54872686
2-bromo-3-methyl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 54875491
N-(2-methyl-1-phenylpropyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 42891215
2-(aminomethyl)-3-methyl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 65227347
4-(2-phenylpropanoyl)piperazine-1-carboxylic acid
CID 123978290
2-amino-3,3-dimethyl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 76894907
(2S)-2-amino-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 79024559
4-amino-5-oxo-5-(4-pyrazin-2-ylpiperazin-1-yl)pentanoic acid
CID 64890679
(2R)-2-(4-methoxyphenoxy)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 42024714
2-(4-pyrazin-2-ylpiperazin-1-yl)propanoic acid
CID 62311866

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-phenyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one (CID 71322934) is 2-phenyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-phenyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-phenyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one is CC(C(=O)N1CCN(c2cnccn2)CC1)c1ccccc1.
What is the InChIKey of 2-phenyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is LQFWSSZSWKQUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-14(15-5-3-2-4-6-15)17(22)21-11-9-20(10-12-21)16-13-18-7-8-19-16/h2-8,13-14H,9-12H2,1H3.
What are the key properties of 2-phenyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one?
2-phenyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 296.37 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 71322934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).