(2R)-2-chloro-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one

C11H15ClN4O — CID 93378573

IUPAC(2R)-2-chloro-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
SMILESC[C@@H](Cl)C(=O)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C11H15ClN4O/c1-9(12)11(17)16-6-4-15(5-7-16)10-8-13-2-3-14-10/h2-3,8-9H,4-7H2,1H3/t9-/m1/s1
InChIKeyYZLNJWLWMIWGGT-SECBINFHSA-N
MW254.72 g/mol
LogP0.75
Rot. Bonds2

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

(2R)-2-chloro-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 93378573) has the molecular formula C11H15ClN4O and a molecular weight of 254.72 g/mol. Its IUPAC name is (2R)-2-chloro-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-chloro-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
PubChem CID93378573
Molecular FormulaC11H15ClN4O
Molecular Weight254.72 g/mol
Exact Mass254.09
IUPAC Name(2R)-2-chloro-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
SMILESC[C@@H](Cl)C(=O)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C11H15ClN4O/c1-9(12)11(17)16-6-4-15(5-7-16)10-8-13-2-3-14-10/h2-3,8-9H,4-7H2,1H3/t9-/m1/s1
InChIKeyYZLNJWLWMIWGGT-SECBINFHSA-N
XLogP0.75
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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
2-(aminomethyl)-3-methyl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 65227347
2-phenyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 71322934
2-chloro-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one
CID 108569993
(2S)-2-amino-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 79024559
2-amino-3,3-dimethyl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 76894907
1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 60715497
2-(aminomethyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 65227346
(2S)-2-amino-4-methylsulfanyl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 61164176
3-amino-2-methoxy-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 106112141
(2R)-2-(4-methoxyphenoxy)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 42024714

Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of (2R)-2-chloro-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one (CID 93378573) is (2R)-2-chloro-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for (2R)-2-chloro-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for (2R)-2-chloro-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one is C[C@@H](Cl)C(=O)N1CCN(c2cnccn2)CC1.
What is the InChIKey of (2R)-2-chloro-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is YZLNJWLWMIWGGT-SECBINFHSA-N. The full InChI is InChI=1S/C11H15ClN4O/c1-9(12)11(17)16-6-4-15(5-7-16)10-8-13-2-3-14-10/h2-3,8-9H,4-7H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-2-chloro-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one?
(2R)-2-chloro-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 254.72 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 93378573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).