2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]acetamide

C21H24Cl3N3O — CID 30725870

IUPAC2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]acetamide
SMILESC[C@@H](NC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H24Cl3N3O/c1-15(19-7-6-18(23)12-20(19)24)25-21(28)14-27-10-8-26(9-11-27)13-16-2-4-17(22)5-3-16/h2-7,12,15H,8-11,13-14H2,1H3,(H,25,28)/t15-/m1/s1
InChIKeyHGSQYOQVHVOMNE-OAHLLOKOSA-N
MW440.80 g/mol
LogP4.64
Rot. Bonds6

About 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]acetamide

2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]acetamide (PubChem CID 30725870) has the molecular formula C21H24Cl3N3O and a molecular weight of 440.80 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]acetamide
PubChem CID30725870
Molecular FormulaC21H24Cl3N3O
Molecular Weight440.80 g/mol
Exact Mass439.10
IUPAC Name2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]acetamide
SMILESC[C@@H](NC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H24Cl3N3O/c1-15(19-7-6-18(23)12-20(19)24)25-21(28)14-27-10-8-26(9-11-27)13-16-2-4-17(22)5-3-16/h2-7,12,15H,8-11,13-14H2,1H3,(H,25,28)/t15-/m1/s1
InChIKeyHGSQYOQVHVOMNE-OAHLLOKOSA-N
XLogP4.64
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.80
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]acetamide 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

N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-piperidin-1-ylacetamide
CID 8894515
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-piperidin-1-ylacetamide
CID 8894518
N-[1-(4-chlorophenyl)ethyl]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 42914266
N-[1-(2,4-dichlorophenyl)ethyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 55470483
4-[4-[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]benzamide
CID 86969617
ethyl 1-[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 51170749
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide
CID 8899220
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130606
N-[1-(2,4-dichlorophenyl)ethyl]-2-(2-methylmorpholin-4-yl)acetamide
CID 46677677
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 9389918
N-[1-(2,4-dichlorophenyl)ethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 51175104
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 7757106

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]acetamide?
The IUPAC name of 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]acetamide (CID 30725870) is 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]acetamide is C[C@@H](NC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]acetamide?
The InChIKey is HGSQYOQVHVOMNE-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H24Cl3N3O/c1-15(19-7-6-18(23)12-20(19)24)25-21(28)14-27-10-8-26(9-11-27)13-16-2-4-17(22)5-3-16/h2-7,12,15H,8-11,13-14H2,1H3,(H,25,28)/t15-/m1/s1.
What are the key properties of 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]acetamide?
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]acetamide has a molecular weight of 440.80 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]acetamide is sourced from PubChem (CID 30725870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).