(2R)-1-[(3R)-4-benzoyl-3-methylpiperazin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one

C16H19F3N2O3 — CID 10759850

IUPAC(2R)-1-[(3R)-4-benzoyl-3-methylpiperazin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
SMILESC[C@@H]1CN(C(=O)[C@@](C)(O)C(F)(F)F)CCN1C(=O)c1ccccc1
InChIInChI=1S/C16H19F3N2O3/c1-11-10-20(14(23)15(2,24)16(17,18)19)8-9-21(11)13(22)12-6-4-3-5-7-12/h3-7,11,24H,8-10H2,1-2H3/t11-,15-/m1/s1
InChIKeyZZZJHJALRUCFRF-IAQYHMDHSA-N
MW344.33 g/mol
LogP1.67
Rot. Bonds2

About (2R)-1-[(3R)-4-benzoyl-3-methylpiperazin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one

(2R)-1-[(3R)-4-benzoyl-3-methylpiperazin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one (PubChem CID 10759850) has the molecular formula C16H19F3N2O3 and a molecular weight of 344.33 g/mol. Its IUPAC name is (2R)-1-[(3R)-4-benzoyl-3-methylpiperazin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one.

Molecular Properties

Compound Name(2R)-1-[(3R)-4-benzoyl-3-methylpiperazin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
PubChem CID10759850
Molecular FormulaC16H19F3N2O3
Molecular Weight344.33 g/mol
Exact Mass344.13
IUPAC Name(2R)-1-[(3R)-4-benzoyl-3-methylpiperazin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
SMILESC[C@@H]1CN(C(=O)[C@@](C)(O)C(F)(F)F)CCN1C(=O)c1ccccc1
InChIInChI=1S/C16H19F3N2O3/c1-11-10-20(14(23)15(2,24)16(17,18)19)8-9-21(11)13(22)12-6-4-3-5-7-12/h3-7,11,24H,8-10H2,1-2H3/t11-,15-/m1/s1
InChIKeyZZZJHJALRUCFRF-IAQYHMDHSA-N
XLogP1.67
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3R)-4-benzoyl-3-methylpiperazin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one?
The IUPAC name of (2R)-1-[(3R)-4-benzoyl-3-methylpiperazin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one (CID 10759850) is (2R)-1-[(3R)-4-benzoyl-3-methylpiperazin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one.
What is the SMILES notation for (2R)-1-[(3R)-4-benzoyl-3-methylpiperazin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one?
The canonical SMILES for (2R)-1-[(3R)-4-benzoyl-3-methylpiperazin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one is C[C@@H]1CN(C(=O)[C@@](C)(O)C(F)(F)F)CCN1C(=O)c1ccccc1.
What is the InChIKey of (2R)-1-[(3R)-4-benzoyl-3-methylpiperazin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one?
The InChIKey is ZZZJHJALRUCFRF-IAQYHMDHSA-N. The full InChI is InChI=1S/C16H19F3N2O3/c1-11-10-20(14(23)15(2,24)16(17,18)19)8-9-21(11)13(22)12-6-4-3-5-7-12/h3-7,11,24H,8-10H2,1-2H3/t11-,15-/m1/s1.
What are the key properties of (2R)-1-[(3R)-4-benzoyl-3-methylpiperazin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one?
(2R)-1-[(3R)-4-benzoyl-3-methylpiperazin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one has a molecular weight of 344.33 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3R)-4-benzoyl-3-methylpiperazin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one is sourced from PubChem (CID 10759850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).