N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-N-methyl-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide

C28H35F4N3O — CID 59903091

IUPACN-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-N-methyl-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
SMILESCN(CCc1cc(F)cc(C(F)(F)F)c1)C(=O)C(c1ccccc1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C28H35F4N3O/c1-33(15-10-21-18-23(28(30,31)32)20-24(29)19-21)27(36)26(22-8-4-2-5-9-22)35-16-11-25(12-17-35)34-13-6-3-7-14-34/h2,4-5,8-9,18-20,25-26H,3,6-7,10-17H2,1H3
InChIKeyIIWDFJRCEFRPOJ-UHFFFAOYSA-N
MW505.60 g/mol
LogP5.54
Rot. Bonds7

About N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-N-methyl-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide

N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-N-methyl-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide (PubChem CID 59903091) has the molecular formula C28H35F4N3O and a molecular weight of 505.60 g/mol. Its IUPAC name is N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-N-methyl-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-N-methyl-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
PubChem CID59903091
Molecular FormulaC28H35F4N3O
Molecular Weight505.60 g/mol
Exact Mass505.27
IUPAC NameN-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-N-methyl-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
SMILESCN(CCc1cc(F)cc(C(F)(F)F)c1)C(=O)C(c1ccccc1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C28H35F4N3O/c1-33(15-10-21-18-23(28(30,31)32)20-24(29)19-21)27(36)26(22-8-4-2-5-9-22)35-16-11-25(12-17-35)34-13-6-3-7-14-34/h2,4-5,8-9,18-20,25-26H,3,6-7,10-17H2,1H3
InChIKeyIIWDFJRCEFRPOJ-UHFFFAOYSA-N
XLogP5.54
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.60
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-N-methyl-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide?
The IUPAC name of N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-N-methyl-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide (CID 59903091) is N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-N-methyl-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-N-methyl-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide?
The canonical SMILES for N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-N-methyl-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide is CN(CCc1cc(F)cc(C(F)(F)F)c1)C(=O)C(c1ccccc1)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-N-methyl-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide?
The InChIKey is IIWDFJRCEFRPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35F4N3O/c1-33(15-10-21-18-23(28(30,31)32)20-24(29)19-21)27(36)26(22-8-4-2-5-9-22)35-16-11-25(12-17-35)34-13-6-3-7-14-34/h2,4-5,8-9,18-20,25-26H,3,6-7,10-17H2,1H3.
What are the key properties of N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-N-methyl-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide?
N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-N-methyl-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide has a molecular weight of 505.60 g/mol, XLogP of 5.54, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-N-methyl-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide is sourced from PubChem (CID 59903091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).