3-(3,4-dichlorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride

C16H21Cl3F3N3O — CID 120810770

IUPAC3-(3,4-dichlorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride
SMILESCl.O=C(CCc1ccc(Cl)c(Cl)c1)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C16H20Cl2F3N3O.ClH/c17-12-3-1-11(9-13(12)18)2-4-15(25)23-10-14(16(19,20)21)24-7-5-22-6-8-24;/h1,3,9,14,22H,2,4-8,10H2,(H,23,25);1H
InChIKeyNGTGCXINRQCHLX-UHFFFAOYSA-N
MW434.72 g/mol
LogP3.30
Rot. Bonds6

About 3-(3,4-dichlorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride

3-(3,4-dichlorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride (PubChem CID 120810770) has the molecular formula C16H21Cl3F3N3O and a molecular weight of 434.72 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride
PubChem CID120810770
Molecular FormulaC16H21Cl3F3N3O
Molecular Weight434.72 g/mol
Exact Mass433.07
IUPAC Name3-(3,4-dichlorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride
SMILESCl.O=C(CCc1ccc(Cl)c(Cl)c1)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C16H20Cl2F3N3O.ClH/c17-12-3-1-11(9-13(12)18)2-4-15(25)23-10-14(16(19,20)21)24-7-5-22-6-8-24;/h1,3,9,14,22H,2,4-8,10H2,(H,23,25);1H
InChIKeyNGTGCXINRQCHLX-UHFFFAOYSA-N
XLogP3.30
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.72
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120811781
3-(3-nitrophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
CID 120812383
3-(2-methylphenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 120813332
3-(2-chloro-4-fluorophenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 120812470
4-oxo-4-(4-propylphenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)butanamide
CID 120813439
2-(4-acetylphenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120812420
2-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120812609
2-(3-fluorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120810976
3-(4-fluorophenyl)sulfanyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 120811686
2-phenylmethoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120811246
4-(2,4-difluorophenyl)-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 120812974
2-(3-chlorophenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120811277

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride?
The IUPAC name of 3-(3,4-dichlorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride (CID 120810770) is 3-(3,4-dichlorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride is Cl.O=C(CCc1ccc(Cl)c(Cl)c1)NCC(N1CCNCC1)C(F)(F)F.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride?
The InChIKey is NGTGCXINRQCHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2F3N3O.ClH/c17-12-3-1-11(9-13(12)18)2-4-15(25)23-10-14(16(19,20)21)24-7-5-22-6-8-24;/h1,3,9,14,22H,2,4-8,10H2,(H,23,25);1H.
What are the key properties of 3-(3,4-dichlorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride?
3-(3,4-dichlorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride has a molecular weight of 434.72 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride is sourced from PubChem (CID 120810770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).