(2R)-2-(dimethylamino)-3-phenyl-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one

C17H23F3N2O — CID 95311668

IUPAC(2R)-2-(dimethylamino)-3-phenyl-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one
SMILESCN(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C17H23F3N2O/c1-21(2)15(11-13-7-4-3-5-8-13)16(23)22-10-6-9-14(12-22)17(18,19)20/h3-5,7-8,14-15H,6,9-12H2,1-2H3/t14-,15+/m0/s1
InChIKeyXMCJIHNHWMGWSB-LSDHHAIUSA-N
MW328.38 g/mol
LogP2.96
Rot. Bonds4

About (2R)-2-(dimethylamino)-3-phenyl-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one

(2R)-2-(dimethylamino)-3-phenyl-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one (PubChem CID 95311668) has the molecular formula C17H23F3N2O and a molecular weight of 328.38 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-3-phenyl-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-(dimethylamino)-3-phenyl-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one
PubChem CID95311668
Molecular FormulaC17H23F3N2O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC Name(2R)-2-(dimethylamino)-3-phenyl-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one
SMILESCN(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C17H23F3N2O/c1-21(2)15(11-13-7-4-3-5-8-13)16(23)22-10-6-9-14(12-22)17(18,19)20/h3-5,7-8,14-15H,6,9-12H2,1-2H3/t14-,15+/m0/s1
InChIKeyXMCJIHNHWMGWSB-LSDHHAIUSA-N
XLogP2.96
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R)-2-(dimethylamino)-3-phenyl-1-[(3S)-3-(trifluoromethyl)piperidin-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

3-phenyl-2-sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 107031432
2-methyl-1-(3-methylpiperidin-1-yl)-3-phenylpropan-1-one
CID 110355924
(2S)-2-(dimethylamino)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-3-phenylpropan-1-one
CID 129326546
3-chloro-2-methyl-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 62727952
2-amino-1-[3-(trifluoromethyl)piperidin-1-yl]butan-1-one
CID 60918464
N-[(1S)-3-oxo-1-phenyl-3-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propyl]acetamide
CID 36940029
[3-(dimethylamino)phenyl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 94014765
2-amino-3-methyl-1-[3-(trifluoromethyl)piperidin-1-yl]butan-1-one
CID 54936811
4-amino-5-oxo-5-[3-(trifluoromethyl)piperidin-1-yl]pentanoic acid
CID 64888148
(1-benzylindol-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 71893736
naphthalen-1-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 51556451
(2-phenyl-1,3-thiazol-4-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 40856160

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylamino)-3-phenyl-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-(dimethylamino)-3-phenyl-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one (CID 95311668) is (2R)-2-(dimethylamino)-3-phenyl-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-(dimethylamino)-3-phenyl-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-(dimethylamino)-3-phenyl-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one is CN(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H](C(F)(F)F)C1.
What is the InChIKey of (2R)-2-(dimethylamino)-3-phenyl-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one?
The InChIKey is XMCJIHNHWMGWSB-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H23F3N2O/c1-21(2)15(11-13-7-4-3-5-8-13)16(23)22-10-6-9-14(12-22)17(18,19)20/h3-5,7-8,14-15H,6,9-12H2,1-2H3/t14-,15+/m0/s1.
What are the key properties of (2R)-2-(dimethylamino)-3-phenyl-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one?
(2R)-2-(dimethylamino)-3-phenyl-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one has a molecular weight of 328.38 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dimethylamino)-3-phenyl-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95311668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).