(3R)-3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]-4-(2-fluorophenyl)butan-1-one

C20H23ClFN3O — CID 23647143

IUPAC(3R)-3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]-4-(2-fluorophenyl)butan-1-one
SMILESN[C@@H](CC(=O)N1CCN(c2ccc(Cl)cc2)CC1)Cc1ccccc1F
InChIInChI=1S/C20H23ClFN3O/c21-16-5-7-18(8-6-16)24-9-11-25(12-10-24)20(26)14-17(23)13-15-3-1-2-4-19(15)22/h1-8,17H,9-14,23H2/t17-/m1/s1
InChIKeySUXIJLBULPMJOM-QGZVFWFLSA-N
MW375.88 g/mol
LogP3.09
Rot. Bonds5

About (3R)-3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]-4-(2-fluorophenyl)butan-1-one

(3R)-3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]-4-(2-fluorophenyl)butan-1-one (PubChem CID 23647143) has the molecular formula C20H23ClFN3O and a molecular weight of 375.88 g/mol. Its IUPAC name is (3R)-3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]-4-(2-fluorophenyl)butan-1-one.

Molecular Properties

Compound Name(3R)-3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]-4-(2-fluorophenyl)butan-1-one
PubChem CID23647143
Molecular FormulaC20H23ClFN3O
Molecular Weight375.88 g/mol
Exact Mass375.15
IUPAC Name(3R)-3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]-4-(2-fluorophenyl)butan-1-one
SMILESN[C@@H](CC(=O)N1CCN(c2ccc(Cl)cc2)CC1)Cc1ccccc1F
InChIInChI=1S/C20H23ClFN3O/c21-16-5-7-18(8-6-16)24-9-11-25(12-10-24)20(26)14-17(23)13-15-3-1-2-4-19(15)22/h1-8,17H,9-14,23H2/t17-/m1/s1
InChIKeySUXIJLBULPMJOM-QGZVFWFLSA-N
XLogP3.09
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]-4-(2-fluorophenyl)butan-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

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]-4-(2-fluorophenyl)butan-1-one?
The IUPAC name of (3R)-3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]-4-(2-fluorophenyl)butan-1-one (CID 23647143) is (3R)-3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]-4-(2-fluorophenyl)butan-1-one.
What is the SMILES notation for (3R)-3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]-4-(2-fluorophenyl)butan-1-one?
The canonical SMILES for (3R)-3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]-4-(2-fluorophenyl)butan-1-one is N[C@@H](CC(=O)N1CCN(c2ccc(Cl)cc2)CC1)Cc1ccccc1F.
What is the InChIKey of (3R)-3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]-4-(2-fluorophenyl)butan-1-one?
The InChIKey is SUXIJLBULPMJOM-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23ClFN3O/c21-16-5-7-18(8-6-16)24-9-11-25(12-10-24)20(26)14-17(23)13-15-3-1-2-4-19(15)22/h1-8,17H,9-14,23H2/t17-/m1/s1.
What are the key properties of (3R)-3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]-4-(2-fluorophenyl)butan-1-one?
(3R)-3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]-4-(2-fluorophenyl)butan-1-one has a molecular weight of 375.88 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]-4-(2-fluorophenyl)butan-1-one is sourced from PubChem (CID 23647143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).