N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide

C16H23Cl2N3O — CID 98798810

IUPACN-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide
SMILESC[C@@H]1CN(C)CCN1CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H23Cl2N3O/c1-11-9-20(3)6-7-21(11)10-16(22)19-12(2)14-5-4-13(17)8-15(14)18/h4-5,8,11-12H,6-7,9-10H2,1-3H3,(H,19,22)/t11-,12-/m1/s1
InChIKeyMTZVCJUYOJJBLG-VXGBXAGGSA-N
MW344.29 g/mol
LogP2.81
Rot. Bonds4

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

N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide (PubChem CID 98798810) has the molecular formula C16H23Cl2N3O and a molecular weight of 344.29 g/mol. Its IUPAC name is N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide
PubChem CID98798810
Molecular FormulaC16H23Cl2N3O
Molecular Weight344.29 g/mol
Exact Mass343.12
IUPAC NameN-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide
SMILESC[C@@H]1CN(C)CCN1CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H23Cl2N3O/c1-11-9-20(3)6-7-21(11)10-16(22)19-12(2)14-5-4-13(17)8-15(14)18/h4-5,8,11-12H,6-7,9-10H2,1-3H3,(H,19,22)/t11-,12-/m1/s1
InChIKeyMTZVCJUYOJJBLG-VXGBXAGGSA-N
XLogP2.81
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide
CID 98798824
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide
CID 8899220
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-(2,4-dichlorophenyl)ethyl]-2-(2-methylmorpholin-4-yl)acetamide
CID 46677677
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]acetamide
CID 30725870
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 7757106
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(2S)-2,4-dimethylpiperazin-1-yl]acetamide
CID 97094331
2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]acetamide
CID 11919459
N-[1-(2,4-dichlorophenyl)ethyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 55470483
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide
CID 51968542
N-[1-(2,4-dichlorophenyl)ethyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120871149

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide?
The IUPAC name of N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide (CID 98798810) is N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide?
The canonical SMILES for N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide is C[C@@H]1CN(C)CCN1CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide?
The InChIKey is MTZVCJUYOJJBLG-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H23Cl2N3O/c1-11-9-20(3)6-7-21(11)10-16(22)19-12(2)14-5-4-13(17)8-15(14)18/h4-5,8,11-12H,6-7,9-10H2,1-3H3,(H,19,22)/t11-,12-/m1/s1.
What are the key properties of N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide?
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide has a molecular weight of 344.29 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide is sourced from PubChem (CID 98798810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).