5-[(4-methylpiperazin-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride

C22H27ClN2O2 — CID 45262208

IUPAC5-[(4-methylpiperazin-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride
SMILESCN1CCN(CC2CC(c3ccccc3)(c3ccccc3)C(=O)O2)CC1.Cl
InChIInChI=1S/C22H26N2O2.ClH/c1-23-12-14-24(15-13-23)17-20-16-22(21(25)26-20,18-8-4-2-5-9-18)19-10-6-3-7-11-19;/h2-11,20H,12-17H2,1H3;1H
InChIKeyWNIBBWCGWDDSKF-UHFFFAOYSA-N
MW386.92 g/mol
LogP2.96
Rot. Bonds4

About 5-[(4-methylpiperazin-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride

5-[(4-methylpiperazin-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride (PubChem CID 45262208) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is 5-[(4-methylpiperazin-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride.

Molecular Properties

Compound Name5-[(4-methylpiperazin-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride
PubChem CID45262208
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC Name5-[(4-methylpiperazin-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride
SMILESCN1CCN(CC2CC(c3ccccc3)(c3ccccc3)C(=O)O2)CC1.Cl
InChIInChI=1S/C22H26N2O2.ClH/c1-23-12-14-24(15-13-23)17-20-16-22(21(25)26-20,18-8-4-2-5-9-18)19-10-6-3-7-11-19;/h2-11,20H,12-17H2,1H3;1H
InChIKeyWNIBBWCGWDDSKF-UHFFFAOYSA-N
XLogP2.96
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[(4-methylpiperazin-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride 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

Piperidolate
CID 4839
Piperidolate Hydrochloride
CID 8520
2-(4-Morpholinyl)ethyl 1-phenylcyclohexanecarboxylate
CID 126402
Dioxaphetyl Butyrate
CID 48194
D-104 (FDA NDC: 58264-0110)
CID 3014059
4-((2,2-Diphenylacetyl)oxy)-1,1-dimethylpiperidinium
CID 1734
Furethidine
CID 61306
Morpheridine
CID 61121
Properidine
CID 62373
Fedrilate
CID 31796
Benzeneacetic acid, alpha-methyl-alpha-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
CID 170353
PRE-084 Hydrochloride
CID 11314197

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylpiperazin-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride?
The IUPAC name of 5-[(4-methylpiperazin-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride (CID 45262208) is 5-[(4-methylpiperazin-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride.
What is the SMILES notation for 5-[(4-methylpiperazin-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride?
The canonical SMILES for 5-[(4-methylpiperazin-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride is CN1CCN(CC2CC(c3ccccc3)(c3ccccc3)C(=O)O2)CC1.Cl.
What is the InChIKey of 5-[(4-methylpiperazin-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride?
The InChIKey is WNIBBWCGWDDSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2.ClH/c1-23-12-14-24(15-13-23)17-20-16-22(21(25)26-20,18-8-4-2-5-9-18)19-10-6-3-7-11-19;/h2-11,20H,12-17H2,1H3;1H.
What are the key properties of 5-[(4-methylpiperazin-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride?
5-[(4-methylpiperazin-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride has a molecular weight of 386.92 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylpiperazin-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride is sourced from PubChem (CID 45262208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).