N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-2-(4-phenylpiperidin-4-yl)acetamide

C24H26F6N2O — CID 87666594

IUPACN-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-2-(4-phenylpiperidin-4-yl)acetamide
SMILESC[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(C)C(=O)CC1(c2ccccc2)CCNCC1
InChIInChI=1S/C24H26F6N2O/c1-16(17-12-19(23(25,26)27)14-20(13-17)24(28,29)30)32(2)21(33)15-22(8-10-31-11-9-22)18-6-4-3-5-7-18/h3-7,12-14,16,31H,8-11,15H2,1-2H3/t16-/m0/s1
InChIKeyVZHSEYRKQIMGOP-INIZCTEOSA-N
MW472.47 g/mol
LogP5.96
Rot. Bonds5

About N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-2-(4-phenylpiperidin-4-yl)acetamide

N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-2-(4-phenylpiperidin-4-yl)acetamide (PubChem CID 87666594) has the molecular formula C24H26F6N2O and a molecular weight of 472.47 g/mol. Its IUPAC name is N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-2-(4-phenylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-2-(4-phenylpiperidin-4-yl)acetamide
PubChem CID87666594
Molecular FormulaC24H26F6N2O
Molecular Weight472.47 g/mol
Exact Mass472.19
IUPAC NameN-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-2-(4-phenylpiperidin-4-yl)acetamide
SMILESC[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(C)C(=O)CC1(c2ccccc2)CCNCC1
InChIInChI=1S/C24H26F6N2O/c1-16(17-12-19(23(25,26)27)14-20(13-17)24(28,29)30)32(2)21(33)15-22(8-10-31-11-9-22)18-6-4-3-5-7-18/h3-7,12-14,16,31H,8-11,15H2,1-2H3/t16-/m0/s1
InChIKeyVZHSEYRKQIMGOP-INIZCTEOSA-N
XLogP5.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.47
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-2-(4-phenylpiperidin-4-yl)acetamide?
The IUPAC name of N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-2-(4-phenylpiperidin-4-yl)acetamide (CID 87666594) is N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-2-(4-phenylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-2-(4-phenylpiperidin-4-yl)acetamide?
The canonical SMILES for N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-2-(4-phenylpiperidin-4-yl)acetamide is C[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(C)C(=O)CC1(c2ccccc2)CCNCC1.
What is the InChIKey of N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-2-(4-phenylpiperidin-4-yl)acetamide?
The InChIKey is VZHSEYRKQIMGOP-INIZCTEOSA-N. The full InChI is InChI=1S/C24H26F6N2O/c1-16(17-12-19(23(25,26)27)14-20(13-17)24(28,29)30)32(2)21(33)15-22(8-10-31-11-9-22)18-6-4-3-5-7-18/h3-7,12-14,16,31H,8-11,15H2,1-2H3/t16-/m0/s1.
What are the key properties of N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-2-(4-phenylpiperidin-4-yl)acetamide?
N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-2-(4-phenylpiperidin-4-yl)acetamide has a molecular weight of 472.47 g/mol, XLogP of 5.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-2-(4-phenylpiperidin-4-yl)acetamide is sourced from PubChem (CID 87666594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).