3-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]oxolan-2-one

C16H19ClN2O3 — CID 48559432

IUPAC3-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]oxolan-2-one
SMILESO=C1OCCC1N1CCN(C(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C16H19ClN2O3/c17-13-4-2-1-3-12(13)11-15(20)19-8-6-18(7-9-19)14-5-10-22-16(14)21/h1-4,14H,5-11H2
InChIKeyBLUMFSATRCVGPA-UHFFFAOYSA-N
MW322.79 g/mol
LogP1.34
Rot. Bonds3

About 3-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]oxolan-2-one

3-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]oxolan-2-one (PubChem CID 48559432) has the molecular formula C16H19ClN2O3 and a molecular weight of 322.79 g/mol. Its IUPAC name is 3-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]oxolan-2-one.

Molecular Properties

Compound Name3-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]oxolan-2-one
PubChem CID48559432
Molecular FormulaC16H19ClN2O3
Molecular Weight322.79 g/mol
Exact Mass322.11
IUPAC Name3-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]oxolan-2-one
SMILESO=C1OCCC1N1CCN(C(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C16H19ClN2O3/c17-13-4-2-1-3-12(13)11-15(20)19-8-6-18(7-9-19)14-5-10-22-16(14)21/h1-4,14H,5-11H2
InChIKeyBLUMFSATRCVGPA-UHFFFAOYSA-N
XLogP1.34
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]oxolan-2-one?
The IUPAC name of 3-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]oxolan-2-one (CID 48559432) is 3-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]oxolan-2-one.
What is the SMILES notation for 3-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]oxolan-2-one?
The canonical SMILES for 3-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]oxolan-2-one is O=C1OCCC1N1CCN(C(=O)Cc2ccccc2Cl)CC1.
What is the InChIKey of 3-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]oxolan-2-one?
The InChIKey is BLUMFSATRCVGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3/c17-13-4-2-1-3-12(13)11-15(20)19-8-6-18(7-9-19)14-5-10-22-16(14)21/h1-4,14H,5-11H2.
What are the key properties of 3-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]oxolan-2-one?
3-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]oxolan-2-one has a molecular weight of 322.79 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]oxolan-2-one is sourced from PubChem (CID 48559432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).