5-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)oxolan-2-one;dihydrochloride

C15H21Cl3N2O2 — CID 3071832

IUPAC5-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)oxolan-2-one;dihydrochloride
SMILESCN1CCN(C2CC(c3ccc(Cl)cc3)OC2=O)CC1.Cl.Cl
InChIInChI=1S/C15H19ClN2O2.2ClH/c1-17-6-8-18(9-7-17)13-10-14(20-15(13)19)11-2-4-12(16)5-3-11;;/h2-5,13-14H,6-10H2,1H3;2*1H
InChIKeyTUVFFDNZCUZBNH-UHFFFAOYSA-N
MW367.70 g/mol
LogP2.79
Rot. Bonds2

About 5-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)oxolan-2-one;dihydrochloride

5-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)oxolan-2-one;dihydrochloride (PubChem CID 3071832) has the molecular formula C15H21Cl3N2O2 and a molecular weight of 367.70 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)oxolan-2-one;dihydrochloride.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)oxolan-2-one;dihydrochloride
PubChem CID3071832
Molecular FormulaC15H21Cl3N2O2
Molecular Weight367.70 g/mol
Exact Mass366.07
IUPAC Name5-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)oxolan-2-one;dihydrochloride
SMILESCN1CCN(C2CC(c3ccc(Cl)cc3)OC2=O)CC1.Cl.Cl
InChIInChI=1S/C15H19ClN2O2.2ClH/c1-17-6-8-18(9-7-17)13-10-14(20-15(13)19)11-2-4-12(16)5-3-11;;/h2-5,13-14H,6-10H2,1H3;2*1H
InChIKeyTUVFFDNZCUZBNH-UHFFFAOYSA-N
XLogP2.79
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.70
LogP ≤ 52.79
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-methylpiperazin-1-yl)oxolan-2-one;dihydrochloride?
The IUPAC name of 5-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)oxolan-2-one;dihydrochloride (CID 3071832) is 5-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)oxolan-2-one;dihydrochloride.
What is the SMILES notation for 5-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)oxolan-2-one;dihydrochloride?
The canonical SMILES for 5-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)oxolan-2-one;dihydrochloride is CN1CCN(C2CC(c3ccc(Cl)cc3)OC2=O)CC1.Cl.Cl.
What is the InChIKey of 5-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)oxolan-2-one;dihydrochloride?
The InChIKey is TUVFFDNZCUZBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2.2ClH/c1-17-6-8-18(9-7-17)13-10-14(20-15(13)19)11-2-4-12(16)5-3-11;;/h2-5,13-14H,6-10H2,1H3;2*1H.
What are the key properties of 5-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)oxolan-2-one;dihydrochloride?
5-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)oxolan-2-one;dihydrochloride has a molecular weight of 367.70 g/mol, XLogP of 2.79, 2 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-methylpiperazin-1-yl)oxolan-2-one;dihydrochloride is sourced from PubChem (CID 3071832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).