N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-[4-(4-fluorophenyl)piperidin-4-yl]-N-methylacetamide

C24H25F7N2O — CID 87665080

IUPACN-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-[4-(4-fluorophenyl)piperidin-4-yl]-N-methylacetamide
SMILESC[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(C)C(=O)CC1(c2ccc(F)cc2)CCNCC1
InChIInChI=1S/C24H25F7N2O/c1-15(16-11-18(23(26,27)28)13-19(12-16)24(29,30)31)33(2)21(34)14-22(7-9-32-10-8-22)17-3-5-20(25)6-4-17/h3-6,11-13,15,32H,7-10,14H2,1-2H3/t15-/m1/s1
InChIKeyKXHRKAVQKDLHBQ-OAHLLOKOSA-N
MW490.46 g/mol
LogP6.09
Rot. Bonds5

About N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-[4-(4-fluorophenyl)piperidin-4-yl]-N-methylacetamide

N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-[4-(4-fluorophenyl)piperidin-4-yl]-N-methylacetamide (PubChem CID 87665080) has the molecular formula C24H25F7N2O and a molecular weight of 490.46 g/mol. Its IUPAC name is N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-[4-(4-fluorophenyl)piperidin-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-[4-(4-fluorophenyl)piperidin-4-yl]-N-methylacetamide
PubChem CID87665080
Molecular FormulaC24H25F7N2O
Molecular Weight490.46 g/mol
Exact Mass490.19
IUPAC NameN-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-[4-(4-fluorophenyl)piperidin-4-yl]-N-methylacetamide
SMILESC[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(C)C(=O)CC1(c2ccc(F)cc2)CCNCC1
InChIInChI=1S/C24H25F7N2O/c1-15(16-11-18(23(26,27)28)13-19(12-16)24(29,30)31)33(2)21(34)14-22(7-9-32-10-8-22)17-3-5-20(25)6-4-17/h3-6,11-13,15,32H,7-10,14H2,1-2H3/t15-/m1/s1
InChIKeyKXHRKAVQKDLHBQ-OAHLLOKOSA-N
XLogP6.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.46
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-2-(4-phenylpiperidin-4-yl)acetamide
CID 87666594
tert-butyl 4-[2-[[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-methylamino]-2-oxoethyl]-4-(4-fluorophenyl)piperidine-1-carboxylate
CID 87665157
N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-[4-[(4-fluorophenyl)methyl]piperidin-4-yl]-N-methylacetamide;hydrochloride
CID 87665368
N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-3-(4-fluorophenyl)-3-(4-fluoropiperidin-4-yl)-N-methylpropanamide
CID 87881125
N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-2-(1-methyl-4-phenylpiperidin-4-yl)acetamide
CID 87664806
N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methylpiperidine-4-carboxamide
CID 145326526
N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-3-(4-fluorophenyl)-3-(4-fluoropiperidin-1-yl)-N-methylpropanamide
CID 87915603
1-[3,5-bis(trifluoromethyl)phenyl]-3-(4-phenylpiperidin-4-yl)propan-1-ol
CID 22918543
N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-5-phenyl-1,2,3,6-tetrahydropyridine-4-carboxamide
CID 87620068
2-(1-aminocyclobutyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 79854166
N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide
CID 87733801
2-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-phenylpiperidin-4-yl)methoxy]acetamide
CID 23204459

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-[4-(4-fluorophenyl)piperidin-4-yl]-N-methylacetamide?
The IUPAC name of N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-[4-(4-fluorophenyl)piperidin-4-yl]-N-methylacetamide (CID 87665080) is N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-[4-(4-fluorophenyl)piperidin-4-yl]-N-methylacetamide.
What is the SMILES notation for N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-[4-(4-fluorophenyl)piperidin-4-yl]-N-methylacetamide?
The canonical SMILES for N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-[4-(4-fluorophenyl)piperidin-4-yl]-N-methylacetamide is C[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(C)C(=O)CC1(c2ccc(F)cc2)CCNCC1.
What is the InChIKey of N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-[4-(4-fluorophenyl)piperidin-4-yl]-N-methylacetamide?
The InChIKey is KXHRKAVQKDLHBQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H25F7N2O/c1-15(16-11-18(23(26,27)28)13-19(12-16)24(29,30)31)33(2)21(34)14-22(7-9-32-10-8-22)17-3-5-20(25)6-4-17/h3-6,11-13,15,32H,7-10,14H2,1-2H3/t15-/m1/s1.
What are the key properties of N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-[4-(4-fluorophenyl)piperidin-4-yl]-N-methylacetamide?
N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-[4-(4-fluorophenyl)piperidin-4-yl]-N-methylacetamide has a molecular weight of 490.46 g/mol, XLogP of 6.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-[4-(4-fluorophenyl)piperidin-4-yl]-N-methylacetamide is sourced from PubChem (CID 87665080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).