2-(1-methylpiperidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

C15H19F3N2O — CID 110860768

IUPAC2-(1-methylpiperidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCN1CCCC(CC(=O)Nc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C15H19F3N2O/c1-20-8-4-5-11(10-20)9-14(21)19-13-7-3-2-6-12(13)15(16,17)18/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,19,21)
InChIKeyZPJZDHUYMYLBBZ-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.38
Rot. Bonds3

About 2-(1-methylpiperidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

2-(1-methylpiperidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 110860768) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-(1-methylpiperidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-methylpiperidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID110860768
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name2-(1-methylpiperidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCN1CCCC(CC(=O)Nc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C15H19F3N2O/c1-20-8-4-5-11(10-20)9-14(21)19-13-7-3-2-6-12(13)15(16,17)18/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,19,21)
InChIKeyZPJZDHUYMYLBBZ-UHFFFAOYSA-N
XLogP3.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-fluorophenyl)-2-(1-methylpiperidin-3-yl)acetamide
CID 110858575
3-[(3R)-1-methylpiperidin-3-yl]-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide
CID 97203525
N-(2,4-dimethylphenyl)-2-(1-methylpiperidin-3-yl)acetamide
CID 110857208
1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 94800617
N-(4-bromophenyl)-2-(1-methylpiperidin-3-yl)acetamide
CID 110859696
2-(3-fluoropyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 171327625
2-(2-phenylpyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 18137719
1-[[(6R)-4-methyl-1,4-oxazepan-6-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 125179623
3-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110688356
2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8583773
2-[acetyl(cyclopentyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113159346
N-(3-bromophenyl)-2-(1-methylpiperidin-3-yl)acetamide
CID 110862884

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(1-methylpiperidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide (CID 110860768) is 2-(1-methylpiperidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(1-methylpiperidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(1-methylpiperidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide is CN1CCCC(CC(=O)Nc2ccccc2C(F)(F)F)C1.
What is the InChIKey of 2-(1-methylpiperidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ZPJZDHUYMYLBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-20-8-4-5-11(10-20)9-14(21)19-13-7-3-2-6-12(13)15(16,17)18/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,19,21).
What are the key properties of 2-(1-methylpiperidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(1-methylpiperidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 300.32 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 110860768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).