3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]oxolan-2-one

C20H23ClN2O3 — CID 171914103

IUPAC3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]oxolan-2-one
SMILESO=C1OCCC1N1CCN(CCOc2ccc(Cl)c3ccccc23)CC1
InChIInChI=1S/C20H23ClN2O3/c21-17-5-6-19(16-4-2-1-3-15(16)17)25-14-12-22-8-10-23(11-9-22)18-7-13-26-20(18)24/h1-6,18H,7-14H2
InChIKeyALEXDRXTPMKZBS-UHFFFAOYSA-N
MW374.87 g/mol
LogP2.81
Rot. Bonds5

About 3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]oxolan-2-one

3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]oxolan-2-one (PubChem CID 171914103) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]oxolan-2-one.

Molecular Properties

Compound Name3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]oxolan-2-one
PubChem CID171914103
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]oxolan-2-one
SMILESO=C1OCCC1N1CCN(CCOc2ccc(Cl)c3ccccc23)CC1
InChIInChI=1S/C20H23ClN2O3/c21-17-5-6-19(16-4-2-1-3-15(16)17)25-14-12-22-8-10-23(11-9-22)18-7-13-26-20(18)24/h1-6,18H,7-14H2
InChIKeyALEXDRXTPMKZBS-UHFFFAOYSA-N
XLogP2.81
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]oxolan-2-one
CID 95155216
3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]oxolan-2-one
CID 134018272
4-[2-(4-chloronaphthalen-1-yl)oxyethyl]morpholine
CID 868523
1-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]-4-methylpiperazine
CID 30088160
N-[2-(4-chloronaphthalen-1-yl)oxyethyl]oxan-4-amine
CID 63099179
[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl] cyanate
CID 143015562
1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-ethylindol-3-yl]ethanone
CID 58968460
(3S)-3-[4-(benzenesulfonyl)piperazin-1-yl]oxolan-2-one
CID 27454278
4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperidine
CID 56830393
1-[2-(4-methylnaphthalen-1-yl)oxyethyl]piperidine
CID 71054217
2-(4-chloronaphthalen-1-yl)oxy-1-cyclopropylethanone
CID 63905355
4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperidine;hydrochloride
CID 56830392

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]oxolan-2-one?
The IUPAC name of 3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]oxolan-2-one (CID 171914103) is 3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]oxolan-2-one.
What is the SMILES notation for 3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]oxolan-2-one?
The canonical SMILES for 3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]oxolan-2-one is O=C1OCCC1N1CCN(CCOc2ccc(Cl)c3ccccc23)CC1.
What is the InChIKey of 3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]oxolan-2-one?
The InChIKey is ALEXDRXTPMKZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c21-17-5-6-19(16-4-2-1-3-15(16)17)25-14-12-22-8-10-23(11-9-22)18-7-13-26-20(18)24/h1-6,18H,7-14H2.
What are the key properties of 3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]oxolan-2-one?
3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]oxolan-2-one has a molecular weight of 374.87 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]oxolan-2-one is sourced from PubChem (CID 171914103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).