2-methyl-N-piperidin-4-yl-3-[3-(trifluoromethyl)phenyl]propanamide

C16H21F3N2O — CID 119386828

IUPAC2-methyl-N-piperidin-4-yl-3-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(Cc1cccc(C(F)(F)F)c1)C(=O)NC1CCNCC1
InChIInChI=1S/C16H21F3N2O/c1-11(15(22)21-14-5-7-20-8-6-14)9-12-3-2-4-13(10-12)16(17,18)19/h2-4,10-11,14,20H,5-9H2,1H3,(H,21,22)
InChIKeyOCKMGITUSSTROY-UHFFFAOYSA-N
MW314.35 g/mol
LogP2.75
Rot. Bonds4

About 2-methyl-N-piperidin-4-yl-3-[3-(trifluoromethyl)phenyl]propanamide

2-methyl-N-piperidin-4-yl-3-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 119386828) has the molecular formula C16H21F3N2O and a molecular weight of 314.35 g/mol. Its IUPAC name is 2-methyl-N-piperidin-4-yl-3-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-piperidin-4-yl-3-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID119386828
Molecular FormulaC16H21F3N2O
Molecular Weight314.35 g/mol
Exact Mass314.16
IUPAC Name2-methyl-N-piperidin-4-yl-3-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(Cc1cccc(C(F)(F)F)c1)C(=O)NC1CCNCC1
InChIInChI=1S/C16H21F3N2O/c1-11(15(22)21-14-5-7-20-8-6-14)9-12-3-2-4-13(10-12)16(17,18)19/h2-4,10-11,14,20H,5-9H2,1H3,(H,21,22)
InChIKeyOCKMGITUSSTROY-UHFFFAOYSA-N
XLogP2.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]butanamide
CID 119388692
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide
CID 120947569
3-(3-fluorophenyl)-2-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119452340
N-[2-(aminomethyl)cyclopentyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119601607
2-methyl-2-[[2-methyl-3-[3-(trifluoromethyl)phenyl]propanoyl]amino]propanoic acid
CID 119187474
N-piperidin-4-yl-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 119386965
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide
CID 120880996
N-(4-hydroxy-2,2-dimethylpentyl)-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide
CID 111479963
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propan-1-one
CID 111561047
2-methyl-N-(6-oxopiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 56793953
carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 118040884
N-cyclopentyl-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide
CID 18088721

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-piperidin-4-yl-3-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-methyl-N-piperidin-4-yl-3-[3-(trifluoromethyl)phenyl]propanamide (CID 119386828) is 2-methyl-N-piperidin-4-yl-3-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-piperidin-4-yl-3-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-methyl-N-piperidin-4-yl-3-[3-(trifluoromethyl)phenyl]propanamide is CC(Cc1cccc(C(F)(F)F)c1)C(=O)NC1CCNCC1.
What is the InChIKey of 2-methyl-N-piperidin-4-yl-3-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is OCKMGITUSSTROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O/c1-11(15(22)21-14-5-7-20-8-6-14)9-12-3-2-4-13(10-12)16(17,18)19/h2-4,10-11,14,20H,5-9H2,1H3,(H,21,22).
What are the key properties of 2-methyl-N-piperidin-4-yl-3-[3-(trifluoromethyl)phenyl]propanamide?
2-methyl-N-piperidin-4-yl-3-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 314.35 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-piperidin-4-yl-3-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 119386828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).