2-(2-methoxyanilino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;dihydrochloride

C16H25Cl2F3N4O2 — CID 120812248

IUPAC2-(2-methoxyanilino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;dihydrochloride
SMILESCOc1ccccc1NCC(=O)NCC(N1CCNCC1)C(F)(F)F.Cl.Cl
InChIInChI=1S/C16H23F3N4O2.2ClH/c1-25-13-5-3-2-4-12(13)21-11-15(24)22-10-14(16(17,18)19)23-8-6-20-7-9-23;;/h2-5,14,20-21H,6-11H2,1H3,(H,22,24);2*1H
InChIKeyFALGFEPNMCTPNV-UHFFFAOYSA-N
MW433.30 g/mol
LogP1.90
Rot. Bonds7

About 2-(2-methoxyanilino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;dihydrochloride

2-(2-methoxyanilino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;dihydrochloride (PubChem CID 120812248) has the molecular formula C16H25Cl2F3N4O2 and a molecular weight of 433.30 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(2-methoxyanilino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;dihydrochloride
PubChem CID120812248
Molecular FormulaC16H25Cl2F3N4O2
Molecular Weight433.30 g/mol
Exact Mass432.13
IUPAC Name2-(2-methoxyanilino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;dihydrochloride
SMILESCOc1ccccc1NCC(=O)NCC(N1CCNCC1)C(F)(F)F.Cl.Cl
InChIInChI=1S/C16H23F3N4O2.2ClH/c1-25-13-5-3-2-4-12(13)21-11-15(24)22-10-14(16(17,18)19)23-8-6-20-7-9-23;;/h2-5,14,20-21H,6-11H2,1H3,(H,22,24);2*1H
InChIKeyFALGFEPNMCTPNV-UHFFFAOYSA-N
XLogP1.90
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.30
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-nitroanilino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120810717
2-(2-ethylphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120813460
2-(2-ethoxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120813841
3-(2-ethoxyphenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 120813028
2-(2-methoxyanilino)-1-piperazin-1-ylethanone;dihydrochloride
CID 119400813
2-(4-methoxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120811739
2-ethoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120811350
2-phenylmethoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120811246
2-(2-nitrophenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120811752
4-methoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120810936
2-(2,6-dimethylphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120813836
3-(2-methylphenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 120813332

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;dihydrochloride?
The IUPAC name of 2-(2-methoxyanilino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;dihydrochloride (CID 120812248) is 2-(2-methoxyanilino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-(2-methoxyanilino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;dihydrochloride?
The canonical SMILES for 2-(2-methoxyanilino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;dihydrochloride is COc1ccccc1NCC(=O)NCC(N1CCNCC1)C(F)(F)F.Cl.Cl.
What is the InChIKey of 2-(2-methoxyanilino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;dihydrochloride?
The InChIKey is FALGFEPNMCTPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4O2.2ClH/c1-25-13-5-3-2-4-12(13)21-11-15(24)22-10-14(16(17,18)19)23-8-6-20-7-9-23;;/h2-5,14,20-21H,6-11H2,1H3,(H,22,24);2*1H.
What are the key properties of 2-(2-methoxyanilino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;dihydrochloride?
2-(2-methoxyanilino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;dihydrochloride has a molecular weight of 433.30 g/mol, XLogP of 1.90, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;dihydrochloride is sourced from PubChem (CID 120812248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).