N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide

C23H28F3N3O — CID 162673782

IUPACN-[2-(4-benzylpiperidin-1-yl)ethyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCCC(=O)N(CCN1CCC(Cc2ccccc2)CC1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C23H28F3N3O/c1-2-22(30)29(21-10-6-9-20(27-21)23(24,25)26)16-15-28-13-11-19(12-14-28)17-18-7-4-3-5-8-18/h3-10,19H,2,11-17H2,1H3
InChIKeyXWVMNVJNAULYTI-UHFFFAOYSA-N
MW419.49 g/mol
LogP4.80
Rot. Bonds7

About N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide

N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide (PubChem CID 162673782) has the molecular formula C23H28F3N3O and a molecular weight of 419.49 g/mol. Its IUPAC name is N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperidin-1-yl)ethyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
PubChem CID162673782
Molecular FormulaC23H28F3N3O
Molecular Weight419.49 g/mol
Exact Mass419.22
IUPAC NameN-[2-(4-benzylpiperidin-1-yl)ethyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCCC(=O)N(CCN1CCC(Cc2ccccc2)CC1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C23H28F3N3O/c1-2-22(30)29(21-10-6-9-20(27-21)23(24,25)26)16-15-28-13-11-19(12-14-28)17-18-7-4-3-5-8-18/h3-10,19H,2,11-17H2,1H3
InChIKeyXWVMNVJNAULYTI-UHFFFAOYSA-N
XLogP4.80
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
The IUPAC name of N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide (CID 162673782) is N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide.
What is the SMILES notation for N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
The canonical SMILES for N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide is CCC(=O)N(CCN1CCC(Cc2ccccc2)CC1)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
The InChIKey is XWVMNVJNAULYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N3O/c1-2-22(30)29(21-10-6-9-20(27-21)23(24,25)26)16-15-28-13-11-19(12-14-28)17-18-7-4-3-5-8-18/h3-10,19H,2,11-17H2,1H3.
What are the key properties of N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide has a molecular weight of 419.49 g/mol, XLogP of 4.80, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 162673782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).