1-(3-chloropropyl)piperazine-2,6-dione

C7H11ClN2O2 — CID 21245750

IUPAC1-(3-chloropropyl)piperazine-2,6-dione
SMILESO=C1CNCC(=O)N1CCCCl
InChIInChI=1S/C7H11ClN2O2/c8-2-1-3-10-6(11)4-9-5-7(10)12/h9H,1-5H2
InChIKeyPFIXBMZZMFKIIZ-UHFFFAOYSA-N
MW190.63 g/mol
LogP-0.43
Rot. Bonds3

About 1-(3-chloropropyl)piperazine-2,6-dione

1-(3-chloropropyl)piperazine-2,6-dione (PubChem CID 21245750) has the molecular formula C7H11ClN2O2 and a molecular weight of 190.63 g/mol. Its IUPAC name is 1-(3-chloropropyl)piperazine-2,6-dione.

Molecular Properties

Compound Name1-(3-chloropropyl)piperazine-2,6-dione
PubChem CID21245750
Molecular FormulaC7H11ClN2O2
Molecular Weight190.63 g/mol
Exact Mass190.05
IUPAC Name1-(3-chloropropyl)piperazine-2,6-dione
SMILESO=C1CNCC(=O)N1CCCCl
InChIInChI=1S/C7H11ClN2O2/c8-2-1-3-10-6(11)4-9-5-7(10)12/h9H,1-5H2
InChIKeyPFIXBMZZMFKIIZ-UHFFFAOYSA-N
XLogP-0.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.63
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloropropyl)pyrrolidine-2,5-dione
CID 16788086
1-(3-hydroxypropyl)piperazine-2,6-dione
CID 66062838
3-(3-chloropropyl)-1-methylimidazolidine-2,4-dione
CID 28824124
3-(3-chloropropyl)-1,3-thiazolidine-2,4-dione
CID 16790896
1-(2-phenoxyethyl)piperazine-2,6-dione
CID 66062056
1-[2-(2-hydroxyethoxy)ethyl]piperazine-2,6-dione
CID 66063429
1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,6-dione
CID 116617522
1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,6-dione
CID 114531283
1-[2-(4-bromophenoxy)ethyl]piperazine-2,6-dione
CID 66062841
1-(2-propylsulfonylethyl)piperazine-2,6-dione
CID 106729420
1-(4-chlorobutyl)-4-ethyl-4-methylpiperidine-2,6-dione
CID 89315498
2-(3-chloropropyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 89315539

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloropropyl)piperazine-2,6-dione?
The IUPAC name of 1-(3-chloropropyl)piperazine-2,6-dione (CID 21245750) is 1-(3-chloropropyl)piperazine-2,6-dione.
What is the SMILES notation for 1-(3-chloropropyl)piperazine-2,6-dione?
The canonical SMILES for 1-(3-chloropropyl)piperazine-2,6-dione is O=C1CNCC(=O)N1CCCCl.
What is the InChIKey of 1-(3-chloropropyl)piperazine-2,6-dione?
The InChIKey is PFIXBMZZMFKIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2O2/c8-2-1-3-10-6(11)4-9-5-7(10)12/h9H,1-5H2.
What are the key properties of 1-(3-chloropropyl)piperazine-2,6-dione?
1-(3-chloropropyl)piperazine-2,6-dione has a molecular weight of 190.63 g/mol, XLogP of -0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropropyl)piperazine-2,6-dione is sourced from PubChem (CID 21245750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).