(2R)-2-phenyl-2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]acetamide

C15H19F4N3O — CID 96547909

IUPAC(2R)-2-phenyl-2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]acetamide
SMILESNC(=O)[C@@H](c1ccccc1)N1CCN(CC(F)(F)C(F)F)CC1
InChIInChI=1S/C15H19F4N3O/c16-14(17)15(18,19)10-21-6-8-22(9-7-21)12(13(20)23)11-4-2-1-3-5-11/h1-5,12,14H,6-10H2,(H2,20,23)/t12-/m1/s1
InChIKeyMVFUVOJAZDYOCG-GFCCVEGCSA-N
MW333.33 g/mol
LogP1.73
Rot. Bonds6

About (2R)-2-phenyl-2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]acetamide

(2R)-2-phenyl-2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]acetamide (PubChem CID 96547909) has the molecular formula C15H19F4N3O and a molecular weight of 333.33 g/mol. Its IUPAC name is (2R)-2-phenyl-2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name(2R)-2-phenyl-2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]acetamide
PubChem CID96547909
Molecular FormulaC15H19F4N3O
Molecular Weight333.33 g/mol
Exact Mass333.15
IUPAC Name(2R)-2-phenyl-2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]acetamide
SMILESNC(=O)[C@@H](c1ccccc1)N1CCN(CC(F)(F)C(F)F)CC1
InChIInChI=1S/C15H19F4N3O/c16-14(17)15(18,19)10-21-6-8-22(9-7-21)12(13(20)23)11-4-2-1-3-5-11/h1-5,12,14H,6-10H2,(H2,20,23)/t12-/m1/s1
InChIKeyMVFUVOJAZDYOCG-GFCCVEGCSA-N
XLogP1.73
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.33
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethylpiperazin-1-yl)-2-phenylacetamide
CID 86915510
2-(azocan-1-yl)-2-phenylacetamide
CID 42889497
(2R)-2-(4-acetylpiperazin-1-yl)-2-phenylacetamide
CID 51908871
2-phenyl-2-piperidin-1-ylacetamide;hydrochloride
CID 138401908
(2R)-2-phenyl-2-piperazin-1-ylacetamide
CID 28805503
(2S)-2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-2-phenylacetamide
CID 30643901
2-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenylacetamide
CID 17433888
2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-phenylacetamide
CID 46568132
1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidine-4-carboxamide
CID 33401914
2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylacetamide
CID 51075038
(2S)-2-phenyl-2-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]acetamide
CID 31256282
(2R)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-phenylacetamide
CID 29435317

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]acetamide?
The IUPAC name of (2R)-2-phenyl-2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]acetamide (CID 96547909) is (2R)-2-phenyl-2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]acetamide.
What is the SMILES notation for (2R)-2-phenyl-2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]acetamide?
The canonical SMILES for (2R)-2-phenyl-2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]acetamide is NC(=O)[C@@H](c1ccccc1)N1CCN(CC(F)(F)C(F)F)CC1.
What is the InChIKey of (2R)-2-phenyl-2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]acetamide?
The InChIKey is MVFUVOJAZDYOCG-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19F4N3O/c16-14(17)15(18,19)10-21-6-8-22(9-7-21)12(13(20)23)11-4-2-1-3-5-11/h1-5,12,14H,6-10H2,(H2,20,23)/t12-/m1/s1.
What are the key properties of (2R)-2-phenyl-2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]acetamide?
(2R)-2-phenyl-2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]acetamide has a molecular weight of 333.33 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 96547909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).