(3R)-3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]oxolan-2-one

C16H21ClN2O3 — CID 95155216

IUPAC(3R)-3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]oxolan-2-one
SMILESO=C1OCC[C@H]1N1CCN(CCOc2ccccc2Cl)CC1
InChIInChI=1S/C16H21ClN2O3/c17-13-3-1-2-4-15(13)21-12-10-18-6-8-19(9-7-18)14-5-11-22-16(14)20/h1-4,14H,5-12H2/t14-/m1/s1
InChIKeyBHCNZKNWCCWFPB-CQSZACIVSA-N
MW324.81 g/mol
LogP1.65
Rot. Bonds5

About (3R)-3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]oxolan-2-one

(3R)-3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]oxolan-2-one (PubChem CID 95155216) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is (3R)-3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]oxolan-2-one.

Molecular Properties

Compound Name(3R)-3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]oxolan-2-one
PubChem CID95155216
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC Name(3R)-3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]oxolan-2-one
SMILESO=C1OCC[C@H]1N1CCN(CCOc2ccccc2Cl)CC1
InChIInChI=1S/C16H21ClN2O3/c17-13-3-1-2-4-15(13)21-12-10-18-6-8-19(9-7-18)14-5-11-22-16(14)20/h1-4,14H,5-12H2/t14-/m1/s1
InChIKeyBHCNZKNWCCWFPB-CQSZACIVSA-N
XLogP1.65
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R)-3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]oxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]oxolan-2-one
CID 171914103
3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]oxolan-2-one
CID 134018272
1-[2-(2-chlorophenoxy)ethyl]-4-(2-chlorophenyl)sulfonylpiperazine
CID 9391115
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(cyclopropylmethyl)acetamide
CID 35462388
1-[2-(2-chlorophenoxy)ethyl]piperidine-4-carbonitrile
CID 39364417
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 47014936
[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 119839347
[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-phenylmethanone
CID 78787888
(3R)-1-[2-(2-chlorophenoxy)ethyl]piperidin-3-amine
CID 102977398
1-[1-[2-(2-chlorophenoxy)ethyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920819
(3-aminocyclopentyl)-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119839310
1-[3-(2-chlorophenoxy)propyl]piperidine
CID 2058914

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]oxolan-2-one?
The IUPAC name of (3R)-3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]oxolan-2-one (CID 95155216) is (3R)-3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]oxolan-2-one.
What is the SMILES notation for (3R)-3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]oxolan-2-one?
The canonical SMILES for (3R)-3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]oxolan-2-one is O=C1OCC[C@H]1N1CCN(CCOc2ccccc2Cl)CC1.
What is the InChIKey of (3R)-3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]oxolan-2-one?
The InChIKey is BHCNZKNWCCWFPB-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c17-13-3-1-2-4-15(13)21-12-10-18-6-8-19(9-7-18)14-5-11-22-16(14)20/h1-4,14H,5-12H2/t14-/m1/s1.
What are the key properties of (3R)-3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]oxolan-2-one?
(3R)-3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]oxolan-2-one has a molecular weight of 324.81 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]oxolan-2-one is sourced from PubChem (CID 95155216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).