N-[1-(2-fluoro-3-methylbenzoyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide

C16H18F4N2O2 — CID 128989597

IUPACN-[1-(2-fluoro-3-methylbenzoyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCC(C(F)(F)F)N(C(=O)c2cccc(C)c2F)C1
InChIInChI=1S/C16H18F4N2O2/c1-9-4-3-5-12(14(9)17)15(24)22-8-11(21-10(2)23)6-7-13(22)16(18,19)20/h3-5,11,13H,6-8H2,1-2H3,(H,21,23)
InChIKeyUCVFPWUWFJKWRL-UHFFFAOYSA-N
MW346.32 g/mol
LogP2.81
Rot. Bonds2

About N-[1-(2-fluoro-3-methylbenzoyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide

N-[1-(2-fluoro-3-methylbenzoyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide (PubChem CID 128989597) has the molecular formula C16H18F4N2O2 and a molecular weight of 346.32 g/mol. Its IUPAC name is N-[1-(2-fluoro-3-methylbenzoyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2-fluoro-3-methylbenzoyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
PubChem CID128989597
Molecular FormulaC16H18F4N2O2
Molecular Weight346.32 g/mol
Exact Mass346.13
IUPAC NameN-[1-(2-fluoro-3-methylbenzoyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCC(C(F)(F)F)N(C(=O)c2cccc(C)c2F)C1
InChIInChI=1S/C16H18F4N2O2/c1-9-4-3-5-12(14(9)17)15(24)22-8-11(21-10(2)23)6-7-13(22)16(18,19)20/h3-5,11,13H,6-8H2,1-2H3,(H,21,23)
InChIKeyUCVFPWUWFJKWRL-UHFFFAOYSA-N
XLogP2.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(pyridine-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 128989570
N-[(3R,6S)-1-(cyclopent-3-ene-1-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 129352014
N-[(3R,6S)-1-(5-methyl-1,3-oxazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 129491793
N-[(3R,6R)-1-(3-cyano-4-fluorobenzoyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 129345616
N-[(3S,6S)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 129491804
2,2,2-trifluoro-N-[(3R,6S)-1-(3-methyl-1,2-thiazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 167899172
N-[1-[4-(dimethylamino)pyridine-2-carbonyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 128970682
2-fluoro-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 80710862
N-[(3S,6R)-1-[2-(4-methoxyphenyl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 129345645
N-[1-(2-amino-3-methylbenzoyl)piperidin-3-yl]acetamide
CID 61109681
N-[1-[2-(2-methylpyrazol-3-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 128989560
N-[(3R,6S)-1-[3-(furan-3-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 129345744

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-3-methylbenzoyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[1-(2-fluoro-3-methylbenzoyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide (CID 128989597) is N-[1-(2-fluoro-3-methylbenzoyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(2-fluoro-3-methylbenzoyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-(2-fluoro-3-methylbenzoyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide is CC(=O)NC1CCC(C(F)(F)F)N(C(=O)c2cccc(C)c2F)C1.
What is the InChIKey of N-[1-(2-fluoro-3-methylbenzoyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The InChIKey is UCVFPWUWFJKWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F4N2O2/c1-9-4-3-5-12(14(9)17)15(24)22-8-11(21-10(2)23)6-7-13(22)16(18,19)20/h3-5,11,13H,6-8H2,1-2H3,(H,21,23).
What are the key properties of N-[1-(2-fluoro-3-methylbenzoyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide?
N-[1-(2-fluoro-3-methylbenzoyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide has a molecular weight of 346.32 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-3-methylbenzoyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 128989597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).