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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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).