(2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-phenyl-2-(2-piperidin-1-ylethylamino)acetamide

C24H27F6N3O — CID 10458152

IUPAC(2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-phenyl-2-(2-piperidin-1-ylethylamino)acetamide
SMILESO=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccccc1
InChIInChI=1S/C24H27F6N3O/c25-23(26,27)19-13-17(14-20(15-19)24(28,29)30)16-32-22(34)21(18-7-3-1-4-8-18)31-9-12-33-10-5-2-6-11-33/h1,3-4,7-8,13-15,21,31H,2,5-6,9-12,16H2,(H,32,34)/t21-/m0/s1
InChIKeyBHCROBUDGYXOFC-NRFANRHFSA-N
MW487.49 g/mol
LogP5.16
Rot. Bonds8

About (2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-phenyl-2-(2-piperidin-1-ylethylamino)acetamide

(2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-phenyl-2-(2-piperidin-1-ylethylamino)acetamide (PubChem CID 10458152) has the molecular formula C24H27F6N3O and a molecular weight of 487.49 g/mol. Its IUPAC name is (2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-phenyl-2-(2-piperidin-1-ylethylamino)acetamide.

Molecular Properties

Compound Name(2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-phenyl-2-(2-piperidin-1-ylethylamino)acetamide
PubChem CID10458152
Molecular FormulaC24H27F6N3O
Molecular Weight487.49 g/mol
Exact Mass487.21
IUPAC Name(2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-phenyl-2-(2-piperidin-1-ylethylamino)acetamide
SMILESO=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccccc1
InChIInChI=1S/C24H27F6N3O/c25-23(26,27)19-13-17(14-20(15-19)24(28,29)30)16-32-22(34)21(18-7-3-1-4-8-18)31-9-12-33-10-5-2-6-11-33/h1,3-4,7-8,13-15,21,31H,2,5-6,9-12,16H2,(H,32,34)/t21-/m0/s1
InChIKeyBHCROBUDGYXOFC-NRFANRHFSA-N
XLogP5.16
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.49
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-phenyl-2-(2-piperidin-1-ylethylamino)acetamide?
The IUPAC name of (2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-phenyl-2-(2-piperidin-1-ylethylamino)acetamide (CID 10458152) is (2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-phenyl-2-(2-piperidin-1-ylethylamino)acetamide.
What is the SMILES notation for (2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-phenyl-2-(2-piperidin-1-ylethylamino)acetamide?
The canonical SMILES for (2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-phenyl-2-(2-piperidin-1-ylethylamino)acetamide is O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccccc1.
What is the InChIKey of (2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-phenyl-2-(2-piperidin-1-ylethylamino)acetamide?
The InChIKey is BHCROBUDGYXOFC-NRFANRHFSA-N. The full InChI is InChI=1S/C24H27F6N3O/c25-23(26,27)19-13-17(14-20(15-19)24(28,29)30)16-32-22(34)21(18-7-3-1-4-8-18)31-9-12-33-10-5-2-6-11-33/h1,3-4,7-8,13-15,21,31H,2,5-6,9-12,16H2,(H,32,34)/t21-/m0/s1.
What are the key properties of (2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-phenyl-2-(2-piperidin-1-ylethylamino)acetamide?
(2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-phenyl-2-(2-piperidin-1-ylethylamino)acetamide has a molecular weight of 487.49 g/mol, XLogP of 5.16, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-phenyl-2-(2-piperidin-1-ylethylamino)acetamide is sourced from PubChem (CID 10458152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).