3-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]butanamide

C16H21F3N2O — CID 154280149

IUPAC3-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]butanamide
SMILESCC(CC(N)=O)c1ccc(N2CCCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C16H21F3N2O/c1-11(9-15(20)22)12-5-6-14(13(10-12)16(17,18)19)21-7-3-2-4-8-21/h5-6,10-11H,2-4,7-9H2,1H3,(H2,20,22)
InChIKeyJBDHRHYLVLJFTB-UHFFFAOYSA-N
MW314.35 g/mol
LogP3.67
Rot. Bonds4

About 3-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]butanamide

3-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]butanamide (PubChem CID 154280149) has the molecular formula C16H21F3N2O and a molecular weight of 314.35 g/mol. Its IUPAC name is 3-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name3-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]butanamide
PubChem CID154280149
Molecular FormulaC16H21F3N2O
Molecular Weight314.35 g/mol
Exact Mass314.16
IUPAC Name3-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]butanamide
SMILESCC(CC(N)=O)c1ccc(N2CCCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C16H21F3N2O/c1-11(9-15(20)22)12-5-6-14(13(10-12)16(17,18)19)21-7-3-2-4-8-21/h5-6,10-11H,2-4,7-9H2,1H3,(H2,20,22)
InChIKeyJBDHRHYLVLJFTB-UHFFFAOYSA-N
XLogP3.67
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-tert-butyl-2-(trifluoromethyl)phenyl]piperidine
CID 58412701
2-(3-amino-4-piperidin-1-ylphenyl)propan-1-ol
CID 154114930
1-[4-bromo-2-(trifluoromethyl)phenyl]piperidine
CID 91620600
3-[3,5-bis(trifluoromethyl)phenyl]butanamide
CID 173252522
1-[4-(1-fluoroethyl)-2-(trifluoromethyl)phenyl]piperazine
CID 115051073
5-[4-pyrrolidin-1-yl-3-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
CID 169402955
1-[4-[2,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]-3-[4-(trifluoromethyl)phenyl]butan-1-one
CID 130471099
2-[1-[4-sulfamoyl-2-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide
CID 133355915
2-methyl-N-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 46971969
4-[[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]methylcarbamothioylamino]benzamide
CID 18416406
3-phenyl-3-(2-piperidin-1-ylphenyl)propanamide
CID 140821391
1-[4-(azepan-1-yl)-3-fluorophenyl]ethanamine
CID 43188748

Frequently Asked Questions

What is the IUPAC name of 3-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 3-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]butanamide (CID 154280149) is 3-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 3-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 3-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]butanamide is CC(CC(N)=O)c1ccc(N2CCCCC2)c(C(F)(F)F)c1.
What is the InChIKey of 3-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]butanamide?
The InChIKey is JBDHRHYLVLJFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O/c1-11(9-15(20)22)12-5-6-14(13(10-12)16(17,18)19)21-7-3-2-4-8-21/h5-6,10-11H,2-4,7-9H2,1H3,(H2,20,22).
What are the key properties of 3-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]butanamide?
3-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]butanamide has a molecular weight of 314.35 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 154280149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).