2-(4-acetylpiperazin-1-yl)propanoyl chloride

C9H15ClN2O2 — CID 82040815

IUPAC2-(4-acetylpiperazin-1-yl)propanoyl chloride
SMILESCC(=O)N1CCN(C(C)C(=O)Cl)CC1
InChIInChI=1S/C9H15ClN2O2/c1-7(9(10)14)11-3-5-12(6-4-11)8(2)13/h7H,3-6H2,1-2H3
InChIKeyGOFJYFOMPGPJHW-UHFFFAOYSA-N
MW218.68 g/mol
LogP0.30
Rot. Bonds2

About 2-(4-acetylpiperazin-1-yl)propanoyl chloride

2-(4-acetylpiperazin-1-yl)propanoyl chloride (PubChem CID 82040815) has the molecular formula C9H15ClN2O2 and a molecular weight of 218.68 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)propanoyl chloride.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)propanoyl chloride
PubChem CID82040815
Molecular FormulaC9H15ClN2O2
Molecular Weight218.68 g/mol
Exact Mass218.08
IUPAC Name2-(4-acetylpiperazin-1-yl)propanoyl chloride
SMILESCC(=O)N1CCN(C(C)C(=O)Cl)CC1
InChIInChI=1S/C9H15ClN2O2/c1-7(9(10)14)11-3-5-12(6-4-11)8(2)13/h7H,3-6H2,1-2H3
InChIKeyGOFJYFOMPGPJHW-UHFFFAOYSA-N
XLogP0.30
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.68
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-acetylpiperazin-1-yl)propanamide
CID 60644667
2-(4-acetylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 123939055
1-[4-(1-cyclopropylethyl)piperazin-1-yl]ethanone
CID 110708739
(2R)-2-[4,7-bis[(2R)-1-(methylamino)-1-oxopropan-2-yl]-1,4,7-triazonan-1-yl]-N-methylpropanamide
CID 177439425
(2R)-2-(4-acetylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 9276559
(2S)-2-(4-acetylpiperazin-1-yl)-N-(2,4-dichlorophenyl)propanamide
CID 2690225
(2S)-2-(4-acetylpiperazin-1-yl)-N-(2,5-dichlorophenyl)propanamide
CID 2690255
1-[4-(3-methylbut-1-en-2-yl)piperazin-1-yl]ethanone
CID 131971579
2-(4-acetylpiperazin-1-yl)-N-(2-methylphenyl)propanamide
CID 51167865
(2R)-2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)propanamide
CID 9276423
1-(4-methylpiperazin-1-yl)ethanone
CID 550758
4-butan-2-ylpiperazine-1-carbonyl chloride
CID 79887170

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)propanoyl chloride?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)propanoyl chloride (CID 82040815) is 2-(4-acetylpiperazin-1-yl)propanoyl chloride.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)propanoyl chloride?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)propanoyl chloride is CC(=O)N1CCN(C(C)C(=O)Cl)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)propanoyl chloride?
The InChIKey is GOFJYFOMPGPJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2O2/c1-7(9(10)14)11-3-5-12(6-4-11)8(2)13/h7H,3-6H2,1-2H3.
What are the key properties of 2-(4-acetylpiperazin-1-yl)propanoyl chloride?
2-(4-acetylpiperazin-1-yl)propanoyl chloride has a molecular weight of 218.68 g/mol, XLogP of 0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)propanoyl chloride is sourced from PubChem (CID 82040815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).