2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide

C21H24F3N3O2 — CID 24504043

IUPAC2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C21H24F3N3O2/c22-21(23,24)18-8-9-20(29)27(14-18)15-19(28)25-12-16-4-6-17(7-5-16)13-26-10-2-1-3-11-26/h4-9,14H,1-3,10-13,15H2,(H,25,28)
InChIKeyVGNZTCSPONTJEE-UHFFFAOYSA-N
MW407.44 g/mol
LogP3.17
Rot. Bonds6

About 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide

2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 24504043) has the molecular formula C21H24F3N3O2 and a molecular weight of 407.44 g/mol. Its IUPAC name is 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID24504043
Molecular FormulaC21H24F3N3O2
Molecular Weight407.44 g/mol
Exact Mass407.18
IUPAC Name2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C21H24F3N3O2/c22-21(23,24)18-8-9-20(29)27(14-18)15-19(28)25-12-16-4-6-17(7-5-16)13-26-10-2-1-3-11-26/h4-9,14H,1-3,10-13,15H2,(H,25,28)
InChIKeyVGNZTCSPONTJEE-UHFFFAOYSA-N
XLogP3.17
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-oxo-1-pyridinyl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 24643030
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 24611675
N-[(1-hydroxycyclopentyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 111333062
1-[2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 30954023
N-[[4-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]phenyl]methyl]acetamide
CID 17409636
N-[2-(3-methylpiperidin-1-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 47035939
2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 30863248
N-butyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 4826239
1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
CID 110082547
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-(methylamino)acetamide
CID 120704106
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 51232557
4-(piperidin-1-ylmethyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24654968

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide (CID 24504043) is 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide is O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1ccc(CN2CCCCC2)cc1.
What is the InChIKey of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is VGNZTCSPONTJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O2/c22-21(23,24)18-8-9-20(29)27(14-18)15-19(28)25-12-16-4-6-17(7-5-16)13-26-10-2-1-3-11-26/h4-9,14H,1-3,10-13,15H2,(H,25,28).
What are the key properties of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 407.44 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 24504043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).