2,2,2-trifluoro-N-[7-hydroxy-6-(4-phenylpiperidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide

C23H25F3N2O2 — CID 15925921

IUPAC2,2,2-trifluoro-N-[7-hydroxy-6-(4-phenylpiperidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide
SMILESO=C(Nc1cccc2c1CC(O)C(N1CCC(c3ccccc3)CC1)C2)C(F)(F)F
InChIInChI=1S/C23H25F3N2O2/c24-23(25,26)22(30)27-19-8-4-7-17-13-20(21(29)14-18(17)19)28-11-9-16(10-12-28)15-5-2-1-3-6-15/h1-8,16,20-21,29H,9-14H2,(H,27,30)
InChIKeyVQKOGRBVBGYRKT-UHFFFAOYSA-N
MW418.46 g/mol
LogP3.90
Rot. Bonds3

About 2,2,2-trifluoro-N-[7-hydroxy-6-(4-phenylpiperidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide

2,2,2-trifluoro-N-[7-hydroxy-6-(4-phenylpiperidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 15925921) has the molecular formula C23H25F3N2O2 and a molecular weight of 418.46 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[7-hydroxy-6-(4-phenylpiperidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[7-hydroxy-6-(4-phenylpiperidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide
PubChem CID15925921
Molecular FormulaC23H25F3N2O2
Molecular Weight418.46 g/mol
Exact Mass418.19
IUPAC Name2,2,2-trifluoro-N-[7-hydroxy-6-(4-phenylpiperidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide
SMILESO=C(Nc1cccc2c1CC(O)C(N1CCC(c3ccccc3)CC1)C2)C(F)(F)F
InChIInChI=1S/C23H25F3N2O2/c24-23(25,26)22(30)27-19-8-4-7-17-13-20(21(29)14-18(17)19)28-11-9-16(10-12-28)15-5-2-1-3-6-15/h1-8,16,20-21,29H,9-14H2,(H,27,30)
InChIKeyVQKOGRBVBGYRKT-UHFFFAOYSA-N
XLogP3.90
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[7-hydroxy-6-(4-phenylpiperidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[7-hydroxy-6-(4-phenylpiperidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide (CID 15925921) is 2,2,2-trifluoro-N-[7-hydroxy-6-(4-phenylpiperidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[7-hydroxy-6-(4-phenylpiperidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[7-hydroxy-6-(4-phenylpiperidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide is O=C(Nc1cccc2c1CC(O)C(N1CCC(c3ccccc3)CC1)C2)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[7-hydroxy-6-(4-phenylpiperidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is VQKOGRBVBGYRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N2O2/c24-23(25,26)22(30)27-19-8-4-7-17-13-20(21(29)14-18(17)19)28-11-9-16(10-12-28)15-5-2-1-3-6-15/h1-8,16,20-21,29H,9-14H2,(H,27,30).
What are the key properties of 2,2,2-trifluoro-N-[7-hydroxy-6-(4-phenylpiperidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide?
2,2,2-trifluoro-N-[7-hydroxy-6-(4-phenylpiperidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 418.46 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[7-hydroxy-6-(4-phenylpiperidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 15925921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).