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

C24H25F7N2O — CID 58990677

IUPAC2-[3,5-bis(trifluoromethyl)phenyl]-N-[(3R,4R)-3-(4-fluorophenyl)piperidin-4-yl]-N,2-dimethylpropanamide
SMILESCN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CCNC[C@H]1c1ccc(F)cc1
InChIInChI=1S/C24H25F7N2O/c1-22(2,15-10-16(23(26,27)28)12-17(11-15)24(29,30)31)21(34)33(3)20-8-9-32-13-19(20)14-4-6-18(25)7-5-14/h4-7,10-12,19-20,32H,8-9,13H2,1-3H3/t19-,20+/m0/s1
InChIKeyKUIYJBXUUWCRRO-VQTJNVASSA-N
MW490.46 g/mol
LogP5.74
Rot. Bonds4

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

2-[3,5-bis(trifluoromethyl)phenyl]-N-[(3R,4R)-3-(4-fluorophenyl)piperidin-4-yl]-N,2-dimethylpropanamide (PubChem CID 58990677) has the molecular formula C24H25F7N2O and a molecular weight of 490.46 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-N-[(3R,4R)-3-(4-fluorophenyl)piperidin-4-yl]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenyl]-N-[(3R,4R)-3-(4-fluorophenyl)piperidin-4-yl]-N,2-dimethylpropanamide
PubChem CID58990677
Molecular FormulaC24H25F7N2O
Molecular Weight490.46 g/mol
Exact Mass490.19
IUPAC Name2-[3,5-bis(trifluoromethyl)phenyl]-N-[(3R,4R)-3-(4-fluorophenyl)piperidin-4-yl]-N,2-dimethylpropanamide
SMILESCN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CCNC[C@H]1c1ccc(F)cc1
InChIInChI=1S/C24H25F7N2O/c1-22(2,15-10-16(23(26,27)28)12-17(11-15)24(29,30)31)21(34)33(3)20-8-9-32-13-19(20)14-4-6-18(25)7-5-14/h4-7,10-12,19-20,32H,8-9,13H2,1-3H3/t19-,20+/m0/s1
InChIKeyKUIYJBXUUWCRRO-VQTJNVASSA-N
XLogP5.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.46
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[(3R,4R)-3-(4-fluorophenyl)piperidin-4-yl]-N,2-dimethylpropanamide?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[(3R,4R)-3-(4-fluorophenyl)piperidin-4-yl]-N,2-dimethylpropanamide (CID 58990677) is 2-[3,5-bis(trifluoromethyl)phenyl]-N-[(3R,4R)-3-(4-fluorophenyl)piperidin-4-yl]-N,2-dimethylpropanamide.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[(3R,4R)-3-(4-fluorophenyl)piperidin-4-yl]-N,2-dimethylpropanamide?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[(3R,4R)-3-(4-fluorophenyl)piperidin-4-yl]-N,2-dimethylpropanamide is CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CCNC[C@H]1c1ccc(F)cc1.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[(3R,4R)-3-(4-fluorophenyl)piperidin-4-yl]-N,2-dimethylpropanamide?
The InChIKey is KUIYJBXUUWCRRO-VQTJNVASSA-N. The full InChI is InChI=1S/C24H25F7N2O/c1-22(2,15-10-16(23(26,27)28)12-17(11-15)24(29,30)31)21(34)33(3)20-8-9-32-13-19(20)14-4-6-18(25)7-5-14/h4-7,10-12,19-20,32H,8-9,13H2,1-3H3/t19-,20+/m0/s1.
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[(3R,4R)-3-(4-fluorophenyl)piperidin-4-yl]-N,2-dimethylpropanamide?
2-[3,5-bis(trifluoromethyl)phenyl]-N-[(3R,4R)-3-(4-fluorophenyl)piperidin-4-yl]-N,2-dimethylpropanamide has a molecular weight of 490.46 g/mol, XLogP of 5.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[(3R,4R)-3-(4-fluorophenyl)piperidin-4-yl]-N,2-dimethylpropanamide is sourced from PubChem (CID 58990677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).