3-(4-chlorophenyl)-1-[4-(2-methoxyethyl)piperazin-1-yl]-3-phenylpropan-1-one

C22H27ClN2O2 — CID 45183020

IUPAC3-(4-chlorophenyl)-1-[4-(2-methoxyethyl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESCOCCN1CCN(C(=O)CC(c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H27ClN2O2/c1-27-16-15-24-11-13-25(14-12-24)22(26)17-21(18-5-3-2-4-6-18)19-7-9-20(23)10-8-19/h2-10,21H,11-17H2,1H3
InChIKeyMMWZHKIMFFNQGD-UHFFFAOYSA-N
MW386.92 g/mol
LogP3.65
Rot. Bonds7

About 3-(4-chlorophenyl)-1-[4-(2-methoxyethyl)piperazin-1-yl]-3-phenylpropan-1-one

3-(4-chlorophenyl)-1-[4-(2-methoxyethyl)piperazin-1-yl]-3-phenylpropan-1-one (PubChem CID 45183020) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-[4-(2-methoxyethyl)piperazin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-[4-(2-methoxyethyl)piperazin-1-yl]-3-phenylpropan-1-one
PubChem CID45183020
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC Name3-(4-chlorophenyl)-1-[4-(2-methoxyethyl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESCOCCN1CCN(C(=O)CC(c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H27ClN2O2/c1-27-16-15-24-11-13-25(14-12-24)22(26)17-21(18-5-3-2-4-6-18)19-7-9-20(23)10-8-19/h2-10,21H,11-17H2,1H3
InChIKeyMMWZHKIMFFNQGD-UHFFFAOYSA-N
XLogP3.65
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-chlorophenyl)-1-[4-(2-methoxyethyl)piperazin-1-yl]-3-phenylpropan-1-one 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

2-(4-Chlorophenyl)-1-(4-morpholinyl)ethanone
CID 1124089
Cb-813
CID 208688
[1-(4-Chlorophenyl)cyclopropyl]-(4-phenylpiperidin-1-yl)methanone
CID 11588129
[1-(4-Chlorophenyl)cyclopropyl]-(3-phenylpiperidin-1-yl)methanone
CID 11695794
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-phenylpropanamide
CID 24758171
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 24758294
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-cyclohexylacetamide
CID 24758295
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(2-methylphenyl)propanamide
CID 24758299
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(3-methylphenyl)propanamide
CID 24758408
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-1-oxobutan-2-yl]-2-phenylacetamide
CID 24758744
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-1-oxobutan-2-yl]-3-phenylpropanamide
CID 24758745
N-(1-(4-(4-chlorophenyl)piperidin-1-yl)-3-methyl-1-oxobutan-2-yl)-2-phenylacetamide
CID 24758856

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-[4-(2-methoxyethyl)piperazin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 3-(4-chlorophenyl)-1-[4-(2-methoxyethyl)piperazin-1-yl]-3-phenylpropan-1-one (CID 45183020) is 3-(4-chlorophenyl)-1-[4-(2-methoxyethyl)piperazin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)-1-[4-(2-methoxyethyl)piperazin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 3-(4-chlorophenyl)-1-[4-(2-methoxyethyl)piperazin-1-yl]-3-phenylpropan-1-one is COCCN1CCN(C(=O)CC(c2ccccc2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 3-(4-chlorophenyl)-1-[4-(2-methoxyethyl)piperazin-1-yl]-3-phenylpropan-1-one?
The InChIKey is MMWZHKIMFFNQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O2/c1-27-16-15-24-11-13-25(14-12-24)22(26)17-21(18-5-3-2-4-6-18)19-7-9-20(23)10-8-19/h2-10,21H,11-17H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-1-[4-(2-methoxyethyl)piperazin-1-yl]-3-phenylpropan-1-one?
3-(4-chlorophenyl)-1-[4-(2-methoxyethyl)piperazin-1-yl]-3-phenylpropan-1-one has a molecular weight of 386.92 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-[4-(2-methoxyethyl)piperazin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 45183020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).