1-(4-acetylpiperazin-1-yl)-2-chloroethanone

C8H13ClN2O2 — CID 2050526

IUPAC1-(4-acetylpiperazin-1-yl)-2-chloroethanone
SMILESCC(=O)N1CCN(C(=O)CCl)CC1
InChIInChI=1S/C8H13ClN2O2/c1-7(12)10-2-4-11(5-3-10)8(13)6-9/h2-6H2,1H3
InChIKeyMPFZOVHTXAHCRJ-UHFFFAOYSA-N
MW204.66 g/mol
LogP-0.08
Rot. Bonds1

About 1-(4-acetylpiperazin-1-yl)-2-chloroethanone

1-(4-acetylpiperazin-1-yl)-2-chloroethanone (PubChem CID 2050526) has the molecular formula C8H13ClN2O2 and a molecular weight of 204.66 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-chloroethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-chloroethanone
PubChem CID2050526
Molecular FormulaC8H13ClN2O2
Molecular Weight204.66 g/mol
Exact Mass204.07
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-chloroethanone
SMILESCC(=O)N1CCN(C(=O)CCl)CC1
InChIInChI=1S/C8H13ClN2O2/c1-7(12)10-2-4-11(5-3-10)8(13)6-9/h2-6H2,1H3
InChIKeyMPFZOVHTXAHCRJ-UHFFFAOYSA-N
XLogP-0.08
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-chloroethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-chloroethanone (CID 2050526) is 1-(4-acetylpiperazin-1-yl)-2-chloroethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-chloroethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-chloroethanone is CC(=O)N1CCN(C(=O)CCl)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-chloroethanone?
The InChIKey is MPFZOVHTXAHCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2O2/c1-7(12)10-2-4-11(5-3-10)8(13)6-9/h2-6H2,1H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-chloroethanone?
1-(4-acetylpiperazin-1-yl)-2-chloroethanone has a molecular weight of 204.66 g/mol, XLogP of -0.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-chloroethanone is sourced from PubChem (CID 2050526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).