2-[4-(2-chloroacetyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone

C12H20ClN3O2 — CID 2560626

IUPAC2-[4-(2-chloroacetyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CCl)N1CCN(CC(=O)N2CCCC2)CC1
InChIInChI=1S/C12H20ClN3O2/c13-9-11(17)16-7-5-14(6-8-16)10-12(18)15-3-1-2-4-15/h1-10H2
InChIKeyQRRJZHJCGNFNIN-UHFFFAOYSA-N
MW273.76 g/mol
LogP-0.01
Rot. Bonds3

About 2-[4-(2-chloroacetyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone

2-[4-(2-chloroacetyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 2560626) has the molecular formula C12H20ClN3O2 and a molecular weight of 273.76 g/mol. Its IUPAC name is 2-[4-(2-chloroacetyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(2-chloroacetyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID2560626
Molecular FormulaC12H20ClN3O2
Molecular Weight273.76 g/mol
Exact Mass273.12
IUPAC Name2-[4-(2-chloroacetyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CCl)N1CCN(CC(=O)N2CCCC2)CC1
InChIInChI=1S/C12H20ClN3O2/c13-9-11(17)16-7-5-14(6-8-16)10-12(18)15-3-1-2-4-15/h1-10H2
InChIKeyQRRJZHJCGNFNIN-UHFFFAOYSA-N
XLogP-0.01
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-[4-(2-chloroacetyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[4-(2-chloroacetyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone (CID 2560626) is 2-[4-(2-chloroacetyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[4-(2-chloroacetyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[4-(2-chloroacetyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone is O=C(CCl)N1CCN(CC(=O)N2CCCC2)CC1.
What is the InChIKey of 2-[4-(2-chloroacetyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is QRRJZHJCGNFNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O2/c13-9-11(17)16-7-5-14(6-8-16)10-12(18)15-3-1-2-4-15/h1-10H2.
What are the key properties of 2-[4-(2-chloroacetyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
2-[4-(2-chloroacetyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 273.76 g/mol, XLogP of -0.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chloroacetyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 2560626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).