N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide

C22H25ClF3N3O3 — CID 31129710

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide
SMILESCOc1ccc(OC)c(CN2CCN(CC(=O)Nc3ccc(Cl)cc3C(F)(F)F)CC2)c1
InChIInChI=1S/C22H25ClF3N3O3/c1-31-17-4-6-20(32-2)15(11-17)13-28-7-9-29(10-8-28)14-21(30)27-19-5-3-16(23)12-18(19)22(24,25)26/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,27,30)
InChIKeyIQRAINIOMRQEPM-UHFFFAOYSA-N
MW471.91 g/mol
LogP4.13
Rot. Bonds7

About N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 31129710) has the molecular formula C22H25ClF3N3O3 and a molecular weight of 471.91 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide
PubChem CID31129710
Molecular FormulaC22H25ClF3N3O3
Molecular Weight471.91 g/mol
Exact Mass471.15
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide
SMILESCOc1ccc(OC)c(CN2CCN(CC(=O)Nc3ccc(Cl)cc3C(F)(F)F)CC2)c1
InChIInChI=1S/C22H25ClF3N3O3/c1-31-17-4-6-20(32-2)15(11-17)13-28-7-9-29(10-8-28)14-21(30)27-19-5-3-16(23)12-18(19)22(24,25)26/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,27,30)
InChIKeyIQRAINIOMRQEPM-UHFFFAOYSA-N
XLogP4.13
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.91
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 31129739
N-(5-chloro-2-fluorophenyl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9436466
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 31129600
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-methylacetamide
CID 30986347
N-(3,5-dimethoxyphenyl)-2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 31129802
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-phenylacetamide
CID 30735955
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 29157692
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 31129825
N-(2,4-dimethoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130137
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2,4-dimethoxyphenyl)urea
CID 108992212
2-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 31001529
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]acetamide
CID 86959633

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide (CID 31129710) is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide is COc1ccc(OC)c(CN2CCN(CC(=O)Nc3ccc(Cl)cc3C(F)(F)F)CC2)c1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is IQRAINIOMRQEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClF3N3O3/c1-31-17-4-6-20(32-2)15(11-17)13-28-7-9-29(10-8-28)14-21(30)27-19-5-3-16(23)12-18(19)22(24,25)26/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,27,30).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 471.91 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 31129710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).