3,3,3-trifluoro-1-[4-[(2S)-2-methoxy-2-phenylacetyl]piperazin-1-yl]propan-1-one

C16H19F3N2O3 — CID 94822095

IUPAC3,3,3-trifluoro-1-[4-[(2S)-2-methoxy-2-phenylacetyl]piperazin-1-yl]propan-1-one
SMILESCO[C@H](C(=O)N1CCN(C(=O)CC(F)(F)F)CC1)c1ccccc1
InChIInChI=1S/C16H19F3N2O3/c1-24-14(12-5-3-2-4-6-12)15(23)21-9-7-20(8-10-21)13(22)11-16(17,18)19/h2-6,14H,7-11H2,1H3/t14-/m0/s1
InChIKeyFEXDTZZTLYPACY-AWEZNQCLSA-N
MW344.33 g/mol
LogP2.00
Rot. Bonds4

About 3,3,3-trifluoro-1-[4-[(2S)-2-methoxy-2-phenylacetyl]piperazin-1-yl]propan-1-one

3,3,3-trifluoro-1-[4-[(2S)-2-methoxy-2-phenylacetyl]piperazin-1-yl]propan-1-one (PubChem CID 94822095) has the molecular formula C16H19F3N2O3 and a molecular weight of 344.33 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-[4-[(2S)-2-methoxy-2-phenylacetyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-[4-[(2S)-2-methoxy-2-phenylacetyl]piperazin-1-yl]propan-1-one
PubChem CID94822095
Molecular FormulaC16H19F3N2O3
Molecular Weight344.33 g/mol
Exact Mass344.13
IUPAC Name3,3,3-trifluoro-1-[4-[(2S)-2-methoxy-2-phenylacetyl]piperazin-1-yl]propan-1-one
SMILESCO[C@H](C(=O)N1CCN(C(=O)CC(F)(F)F)CC1)c1ccccc1
InChIInChI=1S/C16H19F3N2O3/c1-24-14(12-5-3-2-4-6-12)15(23)21-9-7-20(8-10-21)13(22)11-16(17,18)19/h2-6,14H,7-11H2,1H3/t14-/m0/s1
InChIKeyFEXDTZZTLYPACY-AWEZNQCLSA-N
XLogP2.00
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,3,3-trifluoro-1-[4-[(2S)-2-methoxy-2-phenylacetyl]piperazin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-2-phenyl-1-piperidin-1-ylethanone
CID 60775756
N-ethyl-4-[(2S)-2-methoxy-2-phenylacetyl]piperazine-1-carboxamide
CID 95234927
N-ethyl-4-[(2R)-2-methoxy-2-phenylacetyl]piperazine-1-carboxamide
CID 95234926
3-(4-methoxyphenyl)-1-[4-(2-methoxy-2-phenylacetyl)piperazin-1-yl]propan-1-one
CID 60591801
(2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methoxy-2-phenylethanone
CID 95577530
1-[4-(1-aminopropan-2-yl)piperazin-1-yl]-2-methoxy-2-phenylethanone
CID 63337963
1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-methoxy-2-phenylethanone
CID 63310259
2-methoxy-1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenylethanone
CID 90653649
(2S)-1-[(3S,4S)-4-tert-butyl-3-hydroxypiperidin-1-yl]-2-methoxy-2-phenylethanone
CID 98856814
4-[(2R)-2-methoxy-2-phenylacetyl]-N-propyl-1,4-diazepane-1-carboxamide
CID 138806061
1-(3-hydroxypyrrolidin-1-yl)-2-methoxy-2-phenylethanone
CID 62918304
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methoxy-2-phenylethanone
CID 66291678

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-[4-[(2S)-2-methoxy-2-phenylacetyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-[4-[(2S)-2-methoxy-2-phenylacetyl]piperazin-1-yl]propan-1-one (CID 94822095) is 3,3,3-trifluoro-1-[4-[(2S)-2-methoxy-2-phenylacetyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-[4-[(2S)-2-methoxy-2-phenylacetyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-[4-[(2S)-2-methoxy-2-phenylacetyl]piperazin-1-yl]propan-1-one is CO[C@H](C(=O)N1CCN(C(=O)CC(F)(F)F)CC1)c1ccccc1.
What is the InChIKey of 3,3,3-trifluoro-1-[4-[(2S)-2-methoxy-2-phenylacetyl]piperazin-1-yl]propan-1-one?
The InChIKey is FEXDTZZTLYPACY-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19F3N2O3/c1-24-14(12-5-3-2-4-6-12)15(23)21-9-7-20(8-10-21)13(22)11-16(17,18)19/h2-6,14H,7-11H2,1H3/t14-/m0/s1.
What are the key properties of 3,3,3-trifluoro-1-[4-[(2S)-2-methoxy-2-phenylacetyl]piperazin-1-yl]propan-1-one?
3,3,3-trifluoro-1-[4-[(2S)-2-methoxy-2-phenylacetyl]piperazin-1-yl]propan-1-one has a molecular weight of 344.33 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-[4-[(2S)-2-methoxy-2-phenylacetyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 94822095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).