N-[(3-methyl-2-pyridinyl)methyl]-2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide

C22H26F3N3O — CID 92633700

IUPACN-[(3-methyl-2-pyridinyl)methyl]-2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
SMILESCc1cccnc1CNC(=O)CC1CCN(Cc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C22H26F3N3O/c1-16-4-3-9-26-20(16)14-27-21(29)13-17-7-10-28(11-8-17)15-18-5-2-6-19(12-18)22(23,24)25/h2-6,9,12,17H,7-8,10-11,13-15H2,1H3,(H,27,29)
InChIKeyJSZNOECNYLHMDP-UHFFFAOYSA-N
MW405.46 g/mol
LogP4.33
Rot. Bonds6

About N-[(3-methyl-2-pyridinyl)methyl]-2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide

N-[(3-methyl-2-pyridinyl)methyl]-2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide (PubChem CID 92633700) has the molecular formula C22H26F3N3O and a molecular weight of 405.46 g/mol. Its IUPAC name is N-[(3-methyl-2-pyridinyl)methyl]-2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(3-methyl-2-pyridinyl)methyl]-2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
PubChem CID92633700
Molecular FormulaC22H26F3N3O
Molecular Weight405.46 g/mol
Exact Mass405.20
IUPAC NameN-[(3-methyl-2-pyridinyl)methyl]-2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
SMILESCc1cccnc1CNC(=O)CC1CCN(Cc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C22H26F3N3O/c1-16-4-3-9-26-20(16)14-27-21(29)13-17-7-10-28(11-8-17)15-18-5-2-6-19(12-18)22(23,24)25/h2-6,9,12,17H,7-8,10-11,13-15H2,1H3,(H,27,29)
InChIKeyJSZNOECNYLHMDP-UHFFFAOYSA-N
XLogP4.33
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide (CID 92633700) is N-[(3-methyl-2-pyridinyl)methyl]-2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[(3-methyl-2-pyridinyl)methyl]-2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[(3-methyl-2-pyridinyl)methyl]-2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide is Cc1cccnc1CNC(=O)CC1CCN(Cc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-[(3-methyl-2-pyridinyl)methyl]-2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide?
The InChIKey is JSZNOECNYLHMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N3O/c1-16-4-3-9-26-20(16)14-27-21(29)13-17-7-10-28(11-8-17)15-18-5-2-6-19(12-18)22(23,24)25/h2-6,9,12,17H,7-8,10-11,13-15H2,1H3,(H,27,29).
What are the key properties of N-[(3-methyl-2-pyridinyl)methyl]-2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide?
N-[(3-methyl-2-pyridinyl)methyl]-2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide has a molecular weight of 405.46 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-pyridinyl)methyl]-2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 92633700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).