3,3-diphenyl-5-[(4-phenylpiperazin-1-yl)methyl]oxolan-2-one;hydrochloride

C27H29ClN2O2 — CID 45262156

IUPAC3,3-diphenyl-5-[(4-phenylpiperazin-1-yl)methyl]oxolan-2-one;hydrochloride
SMILESCl.O=C1OC(CN2CCN(c3ccccc3)CC2)CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H28N2O2.ClH/c30-26-27(22-10-4-1-5-11-22,23-12-6-2-7-13-23)20-25(31-26)21-28-16-18-29(19-17-28)24-14-8-3-9-15-24;/h1-15,25H,16-21H2;1H
InChIKeyXJASDSBYBZETAB-UHFFFAOYSA-N
MW448.99 g/mol
LogP4.53
Rot. Bonds5

About 3,3-diphenyl-5-[(4-phenylpiperazin-1-yl)methyl]oxolan-2-one;hydrochloride

3,3-diphenyl-5-[(4-phenylpiperazin-1-yl)methyl]oxolan-2-one;hydrochloride (PubChem CID 45262156) has the molecular formula C27H29ClN2O2 and a molecular weight of 448.99 g/mol. Its IUPAC name is 3,3-diphenyl-5-[(4-phenylpiperazin-1-yl)methyl]oxolan-2-one;hydrochloride.

Molecular Properties

Compound Name3,3-diphenyl-5-[(4-phenylpiperazin-1-yl)methyl]oxolan-2-one;hydrochloride
PubChem CID45262156
Molecular FormulaC27H29ClN2O2
Molecular Weight448.99 g/mol
Exact Mass448.19
IUPAC Name3,3-diphenyl-5-[(4-phenylpiperazin-1-yl)methyl]oxolan-2-one;hydrochloride
SMILESCl.O=C1OC(CN2CCN(c3ccccc3)CC2)CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H28N2O2.ClH/c30-26-27(22-10-4-1-5-11-22,23-12-6-2-7-13-23)20-25(31-26)21-28-16-18-29(19-17-28)24-14-8-3-9-15-24;/h1-15,25H,16-21H2;1H
InChIKeyXJASDSBYBZETAB-UHFFFAOYSA-N
XLogP4.53
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.99
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,3-diphenyl-5-[(4-phenylpiperazin-1-yl)methyl]oxolan-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

(S)-1-(4-(3-(bis(4-fluorophenyl)amino)propyl)piperazin-1-yl)-3-phenylpropan-2-yl 2-phenylacetate
CID 44580063
2-(4-Phenylpiperazin-1-yl)ethyl 1-(4-nitrophenyl)cyclopentane-1-carboxylate;hydrochloride
CID 45260510
2-(4-Phenylpiperazin-1-yl)ethyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate;hydrochloride
CID 45264271
2-(4-Phenylpiperazin-1-yl)ethyl 1-(4-iodophenyl)cyclopentane-1-carboxylate;hydrochloride
CID 45264280
2-(4-Phenylpiperazin-1-yl)ethyl 1-phenylcyclopentane-1-carboxylate;hydrochloride
CID 45264309
US9802924, Entry 45
CID 86273382
US9802924, Entry 46
CID 86273383
US9802924, Entry 22
CID 86274103
Benzeneacetic acid, alpha-methyl-4-(2-methylpropyl)-, 2-(4-phenyl-1-piperazinyl)ethyl ester, monohydrochloride
CID 204092
2(3H)-Furanone, dihydro-4-phenyl-3-((4-phenyl-1-piperazinyl)methyl)-
CID 3062958
5-[[Benzyl(methyl)amino]methyl]-3,3-diphenyloxolan-2-one;hydrochloride
CID 45265299
US9802924, Entry 37
CID 118668953

Frequently Asked Questions

What is the IUPAC name of 3,3-diphenyl-5-[(4-phenylpiperazin-1-yl)methyl]oxolan-2-one;hydrochloride?
The IUPAC name of 3,3-diphenyl-5-[(4-phenylpiperazin-1-yl)methyl]oxolan-2-one;hydrochloride (CID 45262156) is 3,3-diphenyl-5-[(4-phenylpiperazin-1-yl)methyl]oxolan-2-one;hydrochloride.
What is the SMILES notation for 3,3-diphenyl-5-[(4-phenylpiperazin-1-yl)methyl]oxolan-2-one;hydrochloride?
The canonical SMILES for 3,3-diphenyl-5-[(4-phenylpiperazin-1-yl)methyl]oxolan-2-one;hydrochloride is Cl.O=C1OC(CN2CCN(c3ccccc3)CC2)CC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 3,3-diphenyl-5-[(4-phenylpiperazin-1-yl)methyl]oxolan-2-one;hydrochloride?
The InChIKey is XJASDSBYBZETAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O2.ClH/c30-26-27(22-10-4-1-5-11-22,23-12-6-2-7-13-23)20-25(31-26)21-28-16-18-29(19-17-28)24-14-8-3-9-15-24;/h1-15,25H,16-21H2;1H.
What are the key properties of 3,3-diphenyl-5-[(4-phenylpiperazin-1-yl)methyl]oxolan-2-one;hydrochloride?
3,3-diphenyl-5-[(4-phenylpiperazin-1-yl)methyl]oxolan-2-one;hydrochloride has a molecular weight of 448.99 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenyl-5-[(4-phenylpiperazin-1-yl)methyl]oxolan-2-one;hydrochloride is sourced from PubChem (CID 45262156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).