propan-2-yl 5-[4-[3-(4-chlorophenyl)phenyl]piperazin-1-yl]-2-ethyl-2-phenylpentanoate

C32H39ClN2O2 — CID 90973274

IUPACpropan-2-yl 5-[4-[3-(4-chlorophenyl)phenyl]piperazin-1-yl]-2-ethyl-2-phenylpentanoate
SMILESCCC(CCCN1CCN(c2cccc(-c3ccc(Cl)cc3)c2)CC1)(C(=O)OC(C)C)c1ccccc1
InChIInChI=1S/C32H39ClN2O2/c1-4-32(31(36)37-25(2)3,28-11-6-5-7-12-28)18-9-19-34-20-22-35(23-21-34)30-13-8-10-27(24-30)26-14-16-29(33)17-15-26/h5-8,10-17,24-25H,4,9,18-23H2,1-3H3
InChIKeyRGVRFFNHZZAEPM-UHFFFAOYSA-N
MW519.13 g/mol
LogP7.21
Rot. Bonds10

About propan-2-yl 5-[4-[3-(4-chlorophenyl)phenyl]piperazin-1-yl]-2-ethyl-2-phenylpentanoate

propan-2-yl 5-[4-[3-(4-chlorophenyl)phenyl]piperazin-1-yl]-2-ethyl-2-phenylpentanoate (PubChem CID 90973274) has the molecular formula C32H39ClN2O2 and a molecular weight of 519.13 g/mol. Its IUPAC name is propan-2-yl 5-[4-[3-(4-chlorophenyl)phenyl]piperazin-1-yl]-2-ethyl-2-phenylpentanoate.

Molecular Properties

Compound Namepropan-2-yl 5-[4-[3-(4-chlorophenyl)phenyl]piperazin-1-yl]-2-ethyl-2-phenylpentanoate
PubChem CID90973274
Molecular FormulaC32H39ClN2O2
Molecular Weight519.13 g/mol
Exact Mass518.27
IUPAC Namepropan-2-yl 5-[4-[3-(4-chlorophenyl)phenyl]piperazin-1-yl]-2-ethyl-2-phenylpentanoate
SMILESCCC(CCCN1CCN(c2cccc(-c3ccc(Cl)cc3)c2)CC1)(C(=O)OC(C)C)c1ccccc1
InChIInChI=1S/C32H39ClN2O2/c1-4-32(31(36)37-25(2)3,28-11-6-5-7-12-28)18-9-19-34-20-22-35(23-21-34)30-13-8-10-27(24-30)26-14-16-29(33)17-15-26/h5-8,10-17,24-25H,4,9,18-23H2,1-3H3
InChIKeyRGVRFFNHZZAEPM-UHFFFAOYSA-N
XLogP7.21
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.13
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze propan-2-yl 5-[4-[3-(4-chlorophenyl)phenyl]piperazin-1-yl]-2-ethyl-2-phenylpentanoate 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

propan-2-yl 5-[4-(4-chlorophenyl)piperazin-1-yl]-2-ethyl-2-phenylpentanoate
CID 139943299
propan-2-yl 2-ethyl-5-[4-[4-(4-fluorophenyl)phenyl]piperazin-1-yl]-2-phenylpentanoate
CID 90947905
propan-2-yl 2-ethyl-2-phenyl-5-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]piperazin-1-yl]pentanoate
CID 91259463
methyl 2-ethyl-5-[4-[3-(4-methoxyphenyl)phenyl]piperazin-1-yl]-2-phenylpentanoate
CID 139943242
ethyl 2-ethyl-5-[4-[3-(3-methylphenyl)phenyl]piperazin-1-yl]-2-phenylpentanoate
CID 91085333
propan-2-yl 5-[4-[3-(3-fluorophenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate
CID 90923403
propan-2-yl 2-methyl-2-phenyl-5-[4-(4-phenylphenyl)piperazin-1-yl]pentanoate
CID 139943267
ethyl 2-ethyl-5-[4-[3-(2-fluorophenyl)phenyl]piperazin-1-yl]-2-phenylpentanoate
CID 139943290
propan-2-yl 2-methyl-5-[4-[3-(2-methylphenyl)phenyl]piperazin-1-yl]-2-phenylpentanoate
CID 91415918
propyl 2-methyl-2-phenyl-5-[4-(3-phenylphenyl)piperazin-1-yl]pentanoate
CID 139943243
propyl 2-methyl-5-[4-[3-(4-methylphenyl)phenyl]piperazin-1-yl]-2-phenylpentanoate
CID 91418187
propyl 5-[4-[3-(4-fluorophenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate
CID 91489162

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-[4-[3-(4-chlorophenyl)phenyl]piperazin-1-yl]-2-ethyl-2-phenylpentanoate?
The IUPAC name of propan-2-yl 5-[4-[3-(4-chlorophenyl)phenyl]piperazin-1-yl]-2-ethyl-2-phenylpentanoate (CID 90973274) is propan-2-yl 5-[4-[3-(4-chlorophenyl)phenyl]piperazin-1-yl]-2-ethyl-2-phenylpentanoate.
What is the SMILES notation for propan-2-yl 5-[4-[3-(4-chlorophenyl)phenyl]piperazin-1-yl]-2-ethyl-2-phenylpentanoate?
The canonical SMILES for propan-2-yl 5-[4-[3-(4-chlorophenyl)phenyl]piperazin-1-yl]-2-ethyl-2-phenylpentanoate is CCC(CCCN1CCN(c2cccc(-c3ccc(Cl)cc3)c2)CC1)(C(=O)OC(C)C)c1ccccc1.
What is the InChIKey of propan-2-yl 5-[4-[3-(4-chlorophenyl)phenyl]piperazin-1-yl]-2-ethyl-2-phenylpentanoate?
The InChIKey is RGVRFFNHZZAEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39ClN2O2/c1-4-32(31(36)37-25(2)3,28-11-6-5-7-12-28)18-9-19-34-20-22-35(23-21-34)30-13-8-10-27(24-30)26-14-16-29(33)17-15-26/h5-8,10-17,24-25H,4,9,18-23H2,1-3H3.
What are the key properties of propan-2-yl 5-[4-[3-(4-chlorophenyl)phenyl]piperazin-1-yl]-2-ethyl-2-phenylpentanoate?
propan-2-yl 5-[4-[3-(4-chlorophenyl)phenyl]piperazin-1-yl]-2-ethyl-2-phenylpentanoate has a molecular weight of 519.13 g/mol, XLogP of 7.21, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-[4-[3-(4-chlorophenyl)phenyl]piperazin-1-yl]-2-ethyl-2-phenylpentanoate is sourced from PubChem (CID 90973274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).