(2S)-2-phenyl-1-[4-[2-[3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-1-yl]propan-1-one

C24H28F3NO — CID 70264154

IUPAC(2S)-2-phenyl-1-[4-[2-[3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-1-yl]propan-1-one
SMILESC[C@H](C(=O)N1CCC(C(C)(C)c2cccc(C(F)(F)F)c2)CC1)c1ccccc1
InChIInChI=1S/C24H28F3NO/c1-17(18-8-5-4-6-9-18)22(29)28-14-12-19(13-15-28)23(2,3)20-10-7-11-21(16-20)24(25,26)27/h4-11,16-17,19H,12-15H2,1-3H3/t17-/m0/s1
InChIKeySVBFZZOPSVCVCP-KRWDZBQOSA-N
MW403.49 g/mol
LogP6.03
Rot. Bonds4

About (2S)-2-phenyl-1-[4-[2-[3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-1-yl]propan-1-one

(2S)-2-phenyl-1-[4-[2-[3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-1-yl]propan-1-one (PubChem CID 70264154) has the molecular formula C24H28F3NO and a molecular weight of 403.49 g/mol. Its IUPAC name is (2S)-2-phenyl-1-[4-[2-[3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-phenyl-1-[4-[2-[3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-1-yl]propan-1-one
PubChem CID70264154
Molecular FormulaC24H28F3NO
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC Name(2S)-2-phenyl-1-[4-[2-[3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-1-yl]propan-1-one
SMILESC[C@H](C(=O)N1CCC(C(C)(C)c2cccc(C(F)(F)F)c2)CC1)c1ccccc1
InChIInChI=1S/C24H28F3NO/c1-17(18-8-5-4-6-9-18)22(29)28-14-12-19(13-15-28)23(2,3)20-10-7-11-21(16-20)24(25,26)27/h4-11,16-17,19H,12-15H2,1-3H3/t17-/m0/s1
InChIKeySVBFZZOPSVCVCP-KRWDZBQOSA-N
XLogP6.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.49
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2S)-2-phenyl-1-[4-[2-[3-(trifluoromethyl)phenyl]propan-2-yl]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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-1-[4-[2-[3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-phenyl-1-[4-[2-[3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-1-yl]propan-1-one (CID 70264154) is (2S)-2-phenyl-1-[4-[2-[3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-phenyl-1-[4-[2-[3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-phenyl-1-[4-[2-[3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-1-yl]propan-1-one is C[C@H](C(=O)N1CCC(C(C)(C)c2cccc(C(F)(F)F)c2)CC1)c1ccccc1.
What is the InChIKey of (2S)-2-phenyl-1-[4-[2-[3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-1-yl]propan-1-one?
The InChIKey is SVBFZZOPSVCVCP-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H28F3NO/c1-17(18-8-5-4-6-9-18)22(29)28-14-12-19(13-15-28)23(2,3)20-10-7-11-21(16-20)24(25,26)27/h4-11,16-17,19H,12-15H2,1-3H3/t17-/m0/s1.
What are the key properties of (2S)-2-phenyl-1-[4-[2-[3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-1-yl]propan-1-one?
(2S)-2-phenyl-1-[4-[2-[3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-1-yl]propan-1-one has a molecular weight of 403.49 g/mol, XLogP of 6.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-1-[4-[2-[3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 70264154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).