5-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-3,3-diethyloxolan-2-one

C20H29ClN2O2 — CID 122688800

IUPAC5-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-3,3-diethyloxolan-2-one
SMILESCCC1(CC)CC(CCN2CCN(c3ccccc3Cl)CC2)OC1=O
InChIInChI=1S/C20H29ClN2O2/c1-3-20(4-2)15-16(25-19(20)24)9-10-22-11-13-23(14-12-22)18-8-6-5-7-17(18)21/h5-8,16H,3-4,9-15H2,1-2H3
InChIKeyFMAZAFJBTZLUNA-UHFFFAOYSA-N
MW364.92 g/mol
LogP3.97
Rot. Bonds6

About 5-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-3,3-diethyloxolan-2-one

5-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-3,3-diethyloxolan-2-one (PubChem CID 122688800) has the molecular formula C20H29ClN2O2 and a molecular weight of 364.92 g/mol. Its IUPAC name is 5-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-3,3-diethyloxolan-2-one.

Molecular Properties

Compound Name5-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-3,3-diethyloxolan-2-one
PubChem CID122688800
Molecular FormulaC20H29ClN2O2
Molecular Weight364.92 g/mol
Exact Mass364.19
IUPAC Name5-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-3,3-diethyloxolan-2-one
SMILESCCC1(CC)CC(CCN2CCN(c3ccccc3Cl)CC2)OC1=O
InChIInChI=1S/C20H29ClN2O2/c1-3-20(4-2)15-16(25-19(20)24)9-10-22-11-13-23(14-12-22)18-8-6-5-7-17(18)21/h5-8,16H,3-4,9-15H2,1-2H3
InChIKeyFMAZAFJBTZLUNA-UHFFFAOYSA-N
XLogP3.97
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.92
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-3,3-diethyloxolan-2-one?
The IUPAC name of 5-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-3,3-diethyloxolan-2-one (CID 122688800) is 5-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-3,3-diethyloxolan-2-one.
What is the SMILES notation for 5-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-3,3-diethyloxolan-2-one?
The canonical SMILES for 5-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-3,3-diethyloxolan-2-one is CCC1(CC)CC(CCN2CCN(c3ccccc3Cl)CC2)OC1=O.
What is the InChIKey of 5-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-3,3-diethyloxolan-2-one?
The InChIKey is FMAZAFJBTZLUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN2O2/c1-3-20(4-2)15-16(25-19(20)24)9-10-22-11-13-23(14-12-22)18-8-6-5-7-17(18)21/h5-8,16H,3-4,9-15H2,1-2H3.
What are the key properties of 5-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-3,3-diethyloxolan-2-one?
5-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-3,3-diethyloxolan-2-one has a molecular weight of 364.92 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-3,3-diethyloxolan-2-one is sourced from PubChem (CID 122688800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).