2-chloro-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one

C12H15ClN4O2 — CID 108569993

IUPAC2-chloro-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one
SMILESCC(Cl)C(=O)N1CCN(C(=O)c2cnccn2)CC1
InChIInChI=1S/C12H15ClN4O2/c1-9(13)11(18)16-4-6-17(7-5-16)12(19)10-8-14-2-3-15-10/h2-3,8-9H,4-7H2,1H3
InChIKeyZETWYVRJGVXMHA-UHFFFAOYSA-N
MW282.73 g/mol
LogP0.39
Rot. Bonds2

About 2-chloro-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one

2-chloro-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one (PubChem CID 108569993) has the molecular formula C12H15ClN4O2 and a molecular weight of 282.73 g/mol. Its IUPAC name is 2-chloro-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-chloro-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one
PubChem CID108569993
Molecular FormulaC12H15ClN4O2
Molecular Weight282.73 g/mol
Exact Mass282.09
IUPAC Name2-chloro-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one
SMILESCC(Cl)C(=O)N1CCN(C(=O)c2cnccn2)CC1
InChIInChI=1S/C12H15ClN4O2/c1-9(13)11(18)16-4-6-17(7-5-16)12(19)10-8-14-2-3-15-10/h2-3,8-9H,4-7H2,1H3
InChIKeyZETWYVRJGVXMHA-UHFFFAOYSA-N
XLogP0.39
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 50.39
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

(2R)-2-chloro-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 93378573
2,2-diphenyl-1-[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 108544412
2-(4-hydroxyphenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one
CID 108534701
2-methylpropyl 4-(pyrazine-2-carbonyl)piperazine-1-carboxylate
CID 108569986
2-(4-propan-2-ylphenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one
CID 108536055
(4-propan-2-yloxypiperidin-1-yl)-pyrazin-2-ylmethanone
CID 110744031
2-(4-hydroxyphenoxy)-1-[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 108545528
(1,1-dioxo-1,4-thiazinan-4-yl)-pyrazin-2-ylmethanone
CID 110743459
2-(4-fluorophenyl)-2-hydroxy-1-[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 134714283
2-[4-(pyrazine-2-carbonyl)piperazin-1-yl]butanenitrile
CID 105351139
[4-methyl-4-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 115304614
[4-(azetidin-3-yl)piperazin-1-yl]-pyrazin-2-ylmethanone
CID 66203494

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-chloro-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one (CID 108569993) is 2-chloro-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-chloro-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-chloro-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one is CC(Cl)C(=O)N1CCN(C(=O)c2cnccn2)CC1.
What is the InChIKey of 2-chloro-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one?
The InChIKey is ZETWYVRJGVXMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O2/c1-9(13)11(18)16-4-6-17(7-5-16)12(19)10-8-14-2-3-15-10/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 2-chloro-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one?
2-chloro-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one has a molecular weight of 282.73 g/mol, XLogP of 0.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 108569993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).