(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)propan-1-one

C20H23ClN2O3 — CID 40696539

IUPAC(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)propan-1-one
SMILESCOc1ccccc1O[C@H](C)C(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H23ClN2O3/c1-15(26-19-9-4-3-8-18(19)25-2)20(24)23-12-10-22(11-13-23)17-7-5-6-16(21)14-17/h3-9,14-15H,10-13H2,1-2H3/t15-/m1/s1
InChIKeyPINABUIHMBMZFK-OAHLLOKOSA-N
MW374.87 g/mol
LogP3.46
Rot. Bonds5

About (2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)propan-1-one

(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)propan-1-one (PubChem CID 40696539) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is (2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)propan-1-one.

Molecular Properties

Compound Name(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)propan-1-one
PubChem CID40696539
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)propan-1-one
SMILESCOc1ccccc1O[C@H](C)C(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H23ClN2O3/c1-15(26-19-9-4-3-8-18(19)25-2)20(24)23-12-10-22(11-13-23)17-7-5-6-16(21)14-17/h3-9,14-15H,10-13H2,1-2H3/t15-/m1/s1
InChIKeyPINABUIHMBMZFK-OAHLLOKOSA-N
XLogP3.46
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)propan-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

(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methylphenoxy)propan-1-one
CID 38010558
2-(3-chlorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 2931302
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenoxy)propan-1-one
CID 3321756
2-(2-methoxyphenoxy)-1-[4-[2-(2-methoxyphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 4981257
(2S)-2-(4-chloro-2-methylphenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 1220793
(2R)-2-(4-chloro-2-methylphenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 1220794
2-(4-chloro-2-methylphenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 3393677
(2R)-2-(2-methoxyphenoxy)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 28839488
2-(4-chloro-3-methylphenoxy)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one
CID 17308649
(2S)-1-(azepan-1-yl)-2-(2-methoxyphenoxy)propan-1-one
CID 9173596
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-sulfanylpropan-1-one
CID 107020823
(2S)-2-(3-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 1290925

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)propan-1-one?
The IUPAC name of (2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)propan-1-one (CID 40696539) is (2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)propan-1-one.
What is the SMILES notation for (2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)propan-1-one?
The canonical SMILES for (2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)propan-1-one is COc1ccccc1O[C@H](C)C(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of (2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)propan-1-one?
The InChIKey is PINABUIHMBMZFK-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-15(26-19-9-4-3-8-18(19)25-2)20(24)23-12-10-22(11-13-23)17-7-5-6-16(21)14-17/h3-9,14-15H,10-13H2,1-2H3/t15-/m1/s1.
What are the key properties of (2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)propan-1-one?
(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)propan-1-one has a molecular weight of 374.87 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)propan-1-one is sourced from PubChem (CID 40696539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).