N,N-diethyl-4-[piperidin-4-ylidene-[3-(trifluoromethyl)phenyl]methyl]benzamide

C24H27F3N2O — CID 10001960

IUPACN,N-diethyl-4-[piperidin-4-ylidene-[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C24H27F3N2O/c1-3-29(4-2)23(30)19-10-8-17(9-11-19)22(18-12-14-28-15-13-18)20-6-5-7-21(16-20)24(25,26)27/h5-11,16,28H,3-4,12-15H2,1-2H3
InChIKeyPNKQYVNKYVDKMJ-UHFFFAOYSA-N
MW416.49 g/mol
LogP5.37
Rot. Bonds5

About N,N-diethyl-4-[piperidin-4-ylidene-[3-(trifluoromethyl)phenyl]methyl]benzamide

N,N-diethyl-4-[piperidin-4-ylidene-[3-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 10001960) has the molecular formula C24H27F3N2O and a molecular weight of 416.49 g/mol. Its IUPAC name is N,N-diethyl-4-[piperidin-4-ylidene-[3-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[piperidin-4-ylidene-[3-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID10001960
Molecular FormulaC24H27F3N2O
Molecular Weight416.49 g/mol
Exact Mass416.21
IUPAC NameN,N-diethyl-4-[piperidin-4-ylidene-[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C24H27F3N2O/c1-3-29(4-2)23(30)19-10-8-17(9-11-19)22(18-12-14-28-15-13-18)20-6-5-7-21(16-20)24(25,26)27/h5-11,16,28H,3-4,12-15H2,1-2H3
InChIKeyPNKQYVNKYVDKMJ-UHFFFAOYSA-N
XLogP5.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.49
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[piperidin-4-ylidene-[3-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of N,N-diethyl-4-[piperidin-4-ylidene-[3-(trifluoromethyl)phenyl]methyl]benzamide (CID 10001960) is N,N-diethyl-4-[piperidin-4-ylidene-[3-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[piperidin-4-ylidene-[3-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for N,N-diethyl-4-[piperidin-4-ylidene-[3-(trifluoromethyl)phenyl]methyl]benzamide is CCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N,N-diethyl-4-[piperidin-4-ylidene-[3-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is PNKQYVNKYVDKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N2O/c1-3-29(4-2)23(30)19-10-8-17(9-11-19)22(18-12-14-28-15-13-18)20-6-5-7-21(16-20)24(25,26)27/h5-11,16,28H,3-4,12-15H2,1-2H3.
What are the key properties of N,N-diethyl-4-[piperidin-4-ylidene-[3-(trifluoromethyl)phenyl]methyl]benzamide?
N,N-diethyl-4-[piperidin-4-ylidene-[3-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 416.49 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[piperidin-4-ylidene-[3-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 10001960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).