N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-3-(4-fluorophenyl)-3-(4-fluoropiperidin-1-yl)-N-methylpropanamide

C25H26F8N2O — CID 87915603

IUPACN-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-3-(4-fluorophenyl)-3-(4-fluoropiperidin-1-yl)-N-methylpropanamide
SMILESC[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(C)C(=O)CC(c1ccc(F)cc1)N1CCC(F)CC1
InChIInChI=1S/C25H26F8N2O/c1-15(17-11-18(24(28,29)30)13-19(12-17)25(31,32)33)34(2)23(36)14-22(16-3-5-20(26)6-4-16)35-9-7-21(27)8-10-35/h3-6,11-13,15,21-22H,7-10,14H2,1-2H3/t15-,22?/m0/s1
InChIKeyRRLUDKKXAXLDHL-UEDXYCIISA-N
MW522.48 g/mol
LogP6.95
Rot. Bonds6

About N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-3-(4-fluorophenyl)-3-(4-fluoropiperidin-1-yl)-N-methylpropanamide

N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-3-(4-fluorophenyl)-3-(4-fluoropiperidin-1-yl)-N-methylpropanamide (PubChem CID 87915603) has the molecular formula C25H26F8N2O and a molecular weight of 522.48 g/mol. Its IUPAC name is N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-3-(4-fluorophenyl)-3-(4-fluoropiperidin-1-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-3-(4-fluorophenyl)-3-(4-fluoropiperidin-1-yl)-N-methylpropanamide
PubChem CID87915603
Molecular FormulaC25H26F8N2O
Molecular Weight522.48 g/mol
Exact Mass522.19
IUPAC NameN-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-3-(4-fluorophenyl)-3-(4-fluoropiperidin-1-yl)-N-methylpropanamide
SMILESC[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(C)C(=O)CC(c1ccc(F)cc1)N1CCC(F)CC1
InChIInChI=1S/C25H26F8N2O/c1-15(17-11-18(24(28,29)30)13-19(12-17)25(31,32)33)34(2)23(36)14-22(16-3-5-20(26)6-4-16)35-9-7-21(27)8-10-35/h3-6,11-13,15,21-22H,7-10,14H2,1-2H3/t15-,22?/m0/s1
InChIKeyRRLUDKKXAXLDHL-UEDXYCIISA-N
XLogP6.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.48
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-3-(4-fluorophenyl)-3-(4-fluoropiperidin-1-yl)-N-methylpropanamide 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
(4-Benzhydrylpiperazin-1-yl)(cyclohexyl)methanone
CID 994313
N-Methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-2-(4-trifluoromethyl-phenyl)-acetamide
CID 9821780
(2R,4S)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-(dimethylamino)-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide
CID 9872808
(2R,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(dimethylamino)-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide
CID 10152974
N-Methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-2-(3-trifluoromethyl-phenyl)-acetamide
CID 10249808
1-(1-acetylpiperidine-4-carbonyl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-5-phenyl-3,6-dihydro-2H-pyridine-4-carboxamide
CID 23146876
(3S,4S)-1-[amino(oxo)acetyl]-N-{(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-3-(4-fluoro-2-methylphenyl)-N-methylpiperidine-4-carboxamide
CID 25027805
(2R,4R)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-(dimethylamino)-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide
CID 51003055
(3S,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluoro-2-methylphenyl)-N-methyl-1-oxamoylpiperidine-4-carboxamide
CID 57391771
(3R,4R)-1-(1-acetylpiperidine-4-carbonyl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-3-phenylpiperidine-4-carboxamide
CID 57398782
(3S,4S)-1-[amino(oxo)acetyl]-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-3-(4-fluoro-2-methylphenyl)-N-methylpiperidine-4-carboxamide
CID 57402221

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-3-(4-fluorophenyl)-3-(4-fluoropiperidin-1-yl)-N-methylpropanamide?
The IUPAC name of N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-3-(4-fluorophenyl)-3-(4-fluoropiperidin-1-yl)-N-methylpropanamide (CID 87915603) is N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-3-(4-fluorophenyl)-3-(4-fluoropiperidin-1-yl)-N-methylpropanamide.
What is the SMILES notation for N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-3-(4-fluorophenyl)-3-(4-fluoropiperidin-1-yl)-N-methylpropanamide?
The canonical SMILES for N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-3-(4-fluorophenyl)-3-(4-fluoropiperidin-1-yl)-N-methylpropanamide is C[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(C)C(=O)CC(c1ccc(F)cc1)N1CCC(F)CC1.
What is the InChIKey of N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-3-(4-fluorophenyl)-3-(4-fluoropiperidin-1-yl)-N-methylpropanamide?
The InChIKey is RRLUDKKXAXLDHL-UEDXYCIISA-N. The full InChI is InChI=1S/C25H26F8N2O/c1-15(17-11-18(24(28,29)30)13-19(12-17)25(31,32)33)34(2)23(36)14-22(16-3-5-20(26)6-4-16)35-9-7-21(27)8-10-35/h3-6,11-13,15,21-22H,7-10,14H2,1-2H3/t15-,22?/m0/s1.
What are the key properties of N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-3-(4-fluorophenyl)-3-(4-fluoropiperidin-1-yl)-N-methylpropanamide?
N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-3-(4-fluorophenyl)-3-(4-fluoropiperidin-1-yl)-N-methylpropanamide has a molecular weight of 522.48 g/mol, XLogP of 6.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-3-(4-fluorophenyl)-3-(4-fluoropiperidin-1-yl)-N-methylpropanamide is sourced from PubChem (CID 87915603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).