2,2-difluoro-2-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide

C15H18F5N3O — CID 120811647

IUPAC2,2-difluoro-2-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
SMILESO=C(NCC(N1CCNCC1)C(F)(F)F)C(F)(F)c1ccccc1
InChIInChI=1S/C15H18F5N3O/c16-14(17,11-4-2-1-3-5-11)13(24)22-10-12(15(18,19)20)23-8-6-21-7-9-23/h1-5,12,21H,6-10H2,(H,22,24)
InChIKeyKDXLGYLANIVTCV-UHFFFAOYSA-N
MW351.32 g/mol
LogP1.73
Rot. Bonds5

About 2,2-difluoro-2-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide

2,2-difluoro-2-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide (PubChem CID 120811647) has the molecular formula C15H18F5N3O and a molecular weight of 351.32 g/mol. Its IUPAC name is 2,2-difluoro-2-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-2-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
PubChem CID120811647
Molecular FormulaC15H18F5N3O
Molecular Weight351.32 g/mol
Exact Mass351.14
IUPAC Name2,2-difluoro-2-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
SMILESO=C(NCC(N1CCNCC1)C(F)(F)F)C(F)(F)c1ccccc1
InChIInChI=1S/C15H18F5N3O/c16-14(17,11-4-2-1-3-5-11)13(24)22-10-12(15(18,19)20)23-8-6-21-7-9-23/h1-5,12,21H,6-10H2,(H,22,24)
InChIKeyKDXLGYLANIVTCV-UHFFFAOYSA-N
XLogP1.73
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
CID 120811075
2-methyl-2-(4-methylphenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 120812372
4-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyrrole-3-carboxamide
CID 120811961
2-anilino-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120811339
4-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclohexane-1-carboxamide
CID 120811457
2-phenylsulfanyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 120813428
2-phenylmethoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120811246
1-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrole-2-carboxamide
CID 120811321
4-tert-butyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120811336
3-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide
CID 120813069
4-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxane-4-carboxamide
CID 120813691
5-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2-oxazole-3-carboxamide
CID 120811231

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?
The IUPAC name of 2,2-difluoro-2-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide (CID 120811647) is 2,2-difluoro-2-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide.
What is the SMILES notation for 2,2-difluoro-2-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?
The canonical SMILES for 2,2-difluoro-2-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide is O=C(NCC(N1CCNCC1)C(F)(F)F)C(F)(F)c1ccccc1.
What is the InChIKey of 2,2-difluoro-2-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?
The InChIKey is KDXLGYLANIVTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F5N3O/c16-14(17,11-4-2-1-3-5-11)13(24)22-10-12(15(18,19)20)23-8-6-21-7-9-23/h1-5,12,21H,6-10H2,(H,22,24).
What are the key properties of 2,2-difluoro-2-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?
2,2-difluoro-2-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide has a molecular weight of 351.32 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide is sourced from PubChem (CID 120811647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).