2-[4-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]piperidin-1-yl]-N-propylacetamide

C18H25F3N4O3 — CID 39145061

IUPAC2-[4-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]piperidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCC(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)CC1
InChIInChI=1S/C18H25F3N4O3/c1-2-7-22-15(26)11-24-8-5-14(6-9-24)23-16(27)12-25-10-13(18(19,20)21)3-4-17(25)28/h3-4,10,14H,2,5-9,11-12H2,1H3,(H,22,26)(H,23,27)
InChIKeyVFNPWUXLVMYCEY-UHFFFAOYSA-N
MW402.42 g/mol
LogP0.97
Rot. Bonds7

About 2-[4-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]piperidin-1-yl]-N-propylacetamide

2-[4-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]piperidin-1-yl]-N-propylacetamide (PubChem CID 39145061) has the molecular formula C18H25F3N4O3 and a molecular weight of 402.42 g/mol. Its IUPAC name is 2-[4-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]piperidin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]piperidin-1-yl]-N-propylacetamide
PubChem CID39145061
Molecular FormulaC18H25F3N4O3
Molecular Weight402.42 g/mol
Exact Mass402.19
IUPAC Name2-[4-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]piperidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCC(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)CC1
InChIInChI=1S/C18H25F3N4O3/c1-2-7-22-15(26)11-24-8-5-14(6-9-24)23-16(27)12-25-10-13(18(19,20)21)3-4-17(25)28/h3-4,10,14H,2,5-9,11-12H2,1H3,(H,22,26)(H,23,27)
InChIKeyVFNPWUXLVMYCEY-UHFFFAOYSA-N
XLogP0.97
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.42
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2623831
N-butyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 4826239
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-propan-2-ylacetamide
CID 7633456
1-(2-methylpropyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide
CID 53506463
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2623884
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pentan-3-ylacetamide
CID 16377604
N-(1-acetylpiperidin-4-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 45807140
(2S,4R)-4-amino-N-methyl-1-{[2-oxo-5-(trifluoromethyl)pyridin-1(2H)-yl]acetyl}pyrrolidine-2-carboxamide
CID 56701389
1-[2-(2,7-diazaspiro[4.5]dec-2-yl)-2-oxoethyl]-5-(trifluoromethyl)-2(1H)-pyridinone hydrochloride
CID 56749370
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2S)-pentan-2-yl]acetamide
CID 94177643
2-[(3S)-3-methylpiperidin-1-yl]-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 95328319
1-methyl-N-(1-methylpiperidin-3-yl)-6-oxopyridine-3-carboxamide
CID 121558710

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]piperidin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]piperidin-1-yl]-N-propylacetamide (CID 39145061) is 2-[4-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]piperidin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]piperidin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]piperidin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCC(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)CC1.
What is the InChIKey of 2-[4-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]piperidin-1-yl]-N-propylacetamide?
The InChIKey is VFNPWUXLVMYCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N4O3/c1-2-7-22-15(26)11-24-8-5-14(6-9-24)23-16(27)12-25-10-13(18(19,20)21)3-4-17(25)28/h3-4,10,14H,2,5-9,11-12H2,1H3,(H,22,26)(H,23,27).
What are the key properties of 2-[4-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]piperidin-1-yl]-N-propylacetamide?
2-[4-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]piperidin-1-yl]-N-propylacetamide has a molecular weight of 402.42 g/mol, XLogP of 0.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]piperidin-1-yl]-N-propylacetamide is sourced from PubChem (CID 39145061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).