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

C16H18F3N3O — CID 75523659

IUPAC3-[1-[3-cyano-4-(trifluoromethyl)phenyl]piperidin-3-yl]propanamide
SMILESN#Cc1cc(N2CCCC(CCC(N)=O)C2)ccc1C(F)(F)F
InChIInChI=1S/C16H18F3N3O/c17-16(18,19)14-5-4-13(8-12(14)9-20)22-7-1-2-11(10-22)3-6-15(21)23/h4-5,8,11H,1-3,6-7,10H2,(H2,21,23)
InChIKeyODJSSULMYKGVPJ-UHFFFAOYSA-N
MW325.33 g/mol
LogP3.06
Rot. Bonds4

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

3-[1-[3-cyano-4-(trifluoromethyl)phenyl]piperidin-3-yl]propanamide (PubChem CID 75523659) has the molecular formula C16H18F3N3O and a molecular weight of 325.33 g/mol. Its IUPAC name is 3-[1-[3-cyano-4-(trifluoromethyl)phenyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-[1-[3-cyano-4-(trifluoromethyl)phenyl]piperidin-3-yl]propanamide
PubChem CID75523659
Molecular FormulaC16H18F3N3O
Molecular Weight325.33 g/mol
Exact Mass325.14
IUPAC Name3-[1-[3-cyano-4-(trifluoromethyl)phenyl]piperidin-3-yl]propanamide
SMILESN#Cc1cc(N2CCCC(CCC(N)=O)C2)ccc1C(F)(F)F
InChIInChI=1S/C16H18F3N3O/c17-16(18,19)14-5-4-13(8-12(14)9-20)22-7-1-2-11(10-22)3-6-15(21)23/h4-5,8,11H,1-3,6-7,10H2,(H2,21,23)
InChIKeyODJSSULMYKGVPJ-UHFFFAOYSA-N
XLogP3.06
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-cyano-4-(trifluoromethyl)phenyl]piperidin-3-yl]propanamide?
The IUPAC name of 3-[1-[3-cyano-4-(trifluoromethyl)phenyl]piperidin-3-yl]propanamide (CID 75523659) is 3-[1-[3-cyano-4-(trifluoromethyl)phenyl]piperidin-3-yl]propanamide.
What is the SMILES notation for 3-[1-[3-cyano-4-(trifluoromethyl)phenyl]piperidin-3-yl]propanamide?
The canonical SMILES for 3-[1-[3-cyano-4-(trifluoromethyl)phenyl]piperidin-3-yl]propanamide is N#Cc1cc(N2CCCC(CCC(N)=O)C2)ccc1C(F)(F)F.
What is the InChIKey of 3-[1-[3-cyano-4-(trifluoromethyl)phenyl]piperidin-3-yl]propanamide?
The InChIKey is ODJSSULMYKGVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O/c17-16(18,19)14-5-4-13(8-12(14)9-20)22-7-1-2-11(10-22)3-6-15(21)23/h4-5,8,11H,1-3,6-7,10H2,(H2,21,23).
What are the key properties of 3-[1-[3-cyano-4-(trifluoromethyl)phenyl]piperidin-3-yl]propanamide?
3-[1-[3-cyano-4-(trifluoromethyl)phenyl]piperidin-3-yl]propanamide has a molecular weight of 325.33 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-cyano-4-(trifluoromethyl)phenyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 75523659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).