N-[2-(3-methylpiperidin-1-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C16H22F3N3O2 — CID 47035939

IUPACN-[2-(3-methylpiperidin-1-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC1CCCN(CCNC(=O)Cn2cc(C(F)(F)F)ccc2=O)C1
InChIInChI=1S/C16H22F3N3O2/c1-12-3-2-7-21(9-12)8-6-20-14(23)11-22-10-13(16(17,18)19)4-5-15(22)24/h4-5,10,12H,2-3,6-9,11H2,1H3,(H,20,23)
InChIKeyUWEFDDXYYVKQJX-UHFFFAOYSA-N
MW345.37 g/mol
LogP1.72
Rot. Bonds5

About N-[2-(3-methylpiperidin-1-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-[2-(3-methylpiperidin-1-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 47035939) has the molecular formula C16H22F3N3O2 and a molecular weight of 345.37 g/mol. Its IUPAC name is N-[2-(3-methylpiperidin-1-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-methylpiperidin-1-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID47035939
Molecular FormulaC16H22F3N3O2
Molecular Weight345.37 g/mol
Exact Mass345.17
IUPAC NameN-[2-(3-methylpiperidin-1-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC1CCCN(CCNC(=O)Cn2cc(C(F)(F)F)ccc2=O)C1
InChIInChI=1S/C16H22F3N3O2/c1-12-3-2-7-21(9-12)8-6-20-14(23)11-22-10-13(16(17,18)19)4-5-15(22)24/h4-5,10,12H,2-3,6-9,11H2,1H3,(H,20,23)
InChIKeyUWEFDDXYYVKQJX-UHFFFAOYSA-N
XLogP1.72
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 4826239
N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 55659068
2-(4-fluorophenyl)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide
CID 94115488
3-hydroxy-N-[2-(3-methylpiperidin-1-yl)ethyl]-3-phenylbutanamide
CID 110024824
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 24504043
N-[(1-hydroxycyclopentyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 111333062
N-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 99779157
N-[[(3R)-oxolan-3-yl]methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 95154219
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 7633502
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 55904816
2-methoxy-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide
CID 94116180
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide
CID 47028663

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylpiperidin-1-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[2-(3-methylpiperidin-1-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 47035939) is N-[2-(3-methylpiperidin-1-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[2-(3-methylpiperidin-1-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[2-(3-methylpiperidin-1-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is CC1CCCN(CCNC(=O)Cn2cc(C(F)(F)F)ccc2=O)C1.
What is the InChIKey of N-[2-(3-methylpiperidin-1-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is UWEFDDXYYVKQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O2/c1-12-3-2-7-21(9-12)8-6-20-14(23)11-22-10-13(16(17,18)19)4-5-15(22)24/h4-5,10,12H,2-3,6-9,11H2,1H3,(H,20,23).
What are the key properties of N-[2-(3-methylpiperidin-1-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[2-(3-methylpiperidin-1-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 345.37 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylpiperidin-1-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 47035939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).