5-(4-chlorophenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]oxolan-2-one;hydrochloride

C20H21Cl3N2O2 — CID 3071836

IUPAC5-(4-chlorophenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]oxolan-2-one;hydrochloride
SMILESCl.O=C1OC(c2ccc(Cl)cc2)CC1N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H20Cl2N2O2.ClH/c21-15-6-4-14(5-7-15)19-13-18(20(25)26-19)24-10-8-23(9-11-24)17-3-1-2-16(22)12-17;/h1-7,12,18-19H,8-11,13H2;1H
InChIKeyBSLXWUIQYHMFBX-UHFFFAOYSA-N
MW427.76 g/mol
LogP4.59
Rot. Bonds3

About 5-(4-chlorophenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]oxolan-2-one;hydrochloride

5-(4-chlorophenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]oxolan-2-one;hydrochloride (PubChem CID 3071836) has the molecular formula C20H21Cl3N2O2 and a molecular weight of 427.76 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]oxolan-2-one;hydrochloride.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]oxolan-2-one;hydrochloride
PubChem CID3071836
Molecular FormulaC20H21Cl3N2O2
Molecular Weight427.76 g/mol
Exact Mass426.07
IUPAC Name5-(4-chlorophenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]oxolan-2-one;hydrochloride
SMILESCl.O=C1OC(c2ccc(Cl)cc2)CC1N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H20Cl2N2O2.ClH/c21-15-6-4-14(5-7-15)19-13-18(20(25)26-19)24-10-8-23(9-11-24)17-3-1-2-16(22)12-17;/h1-7,12,18-19H,8-11,13H2;1H
InChIKeyBSLXWUIQYHMFBX-UHFFFAOYSA-N
XLogP4.59
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.76
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]oxolan-2-one;hydrochloride?
The IUPAC name of 5-(4-chlorophenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]oxolan-2-one;hydrochloride (CID 3071836) is 5-(4-chlorophenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]oxolan-2-one;hydrochloride.
What is the SMILES notation for 5-(4-chlorophenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]oxolan-2-one;hydrochloride?
The canonical SMILES for 5-(4-chlorophenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]oxolan-2-one;hydrochloride is Cl.O=C1OC(c2ccc(Cl)cc2)CC1N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 5-(4-chlorophenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]oxolan-2-one;hydrochloride?
The InChIKey is BSLXWUIQYHMFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O2.ClH/c21-15-6-4-14(5-7-15)19-13-18(20(25)26-19)24-10-8-23(9-11-24)17-3-1-2-16(22)12-17;/h1-7,12,18-19H,8-11,13H2;1H.
What are the key properties of 5-(4-chlorophenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]oxolan-2-one;hydrochloride?
5-(4-chlorophenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]oxolan-2-one;hydrochloride has a molecular weight of 427.76 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]oxolan-2-one;hydrochloride is sourced from PubChem (CID 3071836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).