(2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluorophenyl)-5-piperidin-1-ylpentanamide

C25H27F7N2O — CID 11843945

IUPAC(2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluorophenyl)-5-piperidin-1-ylpentanamide
SMILESO=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCCN1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C25H27F7N2O/c26-21-8-6-18(7-9-21)22(5-4-12-34-10-2-1-3-11-34)23(35)33-16-17-13-19(24(27,28)29)15-20(14-17)25(30,31)32/h6-9,13-15,22H,1-5,10-12,16H2,(H,33,35)/t22-/m0/s1
InChIKeyJNKOTZQNNNDFHS-QFIPXVFZSA-N
MW504.49 g/mol
LogP6.53
Rot. Bonds8

About (2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluorophenyl)-5-piperidin-1-ylpentanamide

(2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluorophenyl)-5-piperidin-1-ylpentanamide (PubChem CID 11843945) has the molecular formula C25H27F7N2O and a molecular weight of 504.49 g/mol. Its IUPAC name is (2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluorophenyl)-5-piperidin-1-ylpentanamide.

Molecular Properties

Compound Name(2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluorophenyl)-5-piperidin-1-ylpentanamide
PubChem CID11843945
Molecular FormulaC25H27F7N2O
Molecular Weight504.49 g/mol
Exact Mass504.20
IUPAC Name(2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluorophenyl)-5-piperidin-1-ylpentanamide
SMILESO=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCCN1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C25H27F7N2O/c26-21-8-6-18(7-9-21)22(5-4-12-34-10-2-1-3-11-34)23(35)33-16-17-13-19(24(27,28)29)15-20(14-17)25(30,31)32/h6-9,13-15,22H,1-5,10-12,16H2,(H,33,35)/t22-/m0/s1
InChIKeyJNKOTZQNNNDFHS-QFIPXVFZSA-N
XLogP6.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.49
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluorophenyl)-5-piperidin-1-ylpentanamide 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

Figopitant
CID 9914857
N,N-diethyl-4-((3-fluorophenyl)(piperidin-4-ylidene)methyl)benzamide
CID 10570940
N-(2-(1-benzylpiperidin-4-yl)ethyl)benzamide
CID 14783860
N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-methylbenzamide
CID 14783863
N-(cyanomethyl)-4-methyl-2-{3-[4-(piperidin-4-yl)phenyl]phenyl}pentanamide
CID 18628693
N,N-Diethyl-4-[piperidin-4-ylidene-(3-trifluoromethyl-phenyl)-methyl]-benzamide
CID 10001960
2-(3,5-Bis-trifluoromethyl-phenyl)-N-[4-(4-isopropyl-piperazin-1-yl)-1-phenyl-cyclohexyl]-propionamide
CID 10210026
2-(3,5-Bis-trifluoromethyl-phenyl)-N-{4-[4-(4-fluoro-phenyl)-piperidin-1-yl]-1-phenyl-cyclohexyl}-propionamide
CID 10258336
2-(3,5-Bis-trifluoromethyl-phenyl)-N-{4-[4-(4-fluoro-phenyl)-piperidin-1-yl]-1-phenyl-cyclohexyl}-isobutyramide
CID 21955222
2-(3,5-Bis-trifluoromethyl-phenyl)-N-{4-[4-(4-fluoro-phenyl)-piperidin-1-yl]-1-phenyl-cyclohexyl}-acetamide
CID 21955298
4-[4-(4-Fluoro-phenyl)-piperidin-1-yl]-1-phenyl-cyclohexanecarboxylic acid [1-(3,5-bis-trifluoromethyl-phenyl)-ethyl]-amide
CID 22293475
(S)-2-(4-fluoro-3,5-dimethylbenzyl)-6-(4-fluorobenzylamino)-N-hydroxyhexanamide
CID 24871655

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluorophenyl)-5-piperidin-1-ylpentanamide?
The IUPAC name of (2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluorophenyl)-5-piperidin-1-ylpentanamide (CID 11843945) is (2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluorophenyl)-5-piperidin-1-ylpentanamide.
What is the SMILES notation for (2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluorophenyl)-5-piperidin-1-ylpentanamide?
The canonical SMILES for (2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluorophenyl)-5-piperidin-1-ylpentanamide is O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCCN1CCCCC1)c1ccc(F)cc1.
What is the InChIKey of (2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluorophenyl)-5-piperidin-1-ylpentanamide?
The InChIKey is JNKOTZQNNNDFHS-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H27F7N2O/c26-21-8-6-18(7-9-21)22(5-4-12-34-10-2-1-3-11-34)23(35)33-16-17-13-19(24(27,28)29)15-20(14-17)25(30,31)32/h6-9,13-15,22H,1-5,10-12,16H2,(H,33,35)/t22-/m0/s1.
What are the key properties of (2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluorophenyl)-5-piperidin-1-ylpentanamide?
(2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluorophenyl)-5-piperidin-1-ylpentanamide has a molecular weight of 504.49 g/mol, XLogP of 6.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluorophenyl)-5-piperidin-1-ylpentanamide is sourced from PubChem (CID 11843945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).