3-piperidin-4-yl-N-[2-(2,2,2-trifluoroethoxy)phenyl]butanamide

C17H23F3N2O2 — CID 119700416

IUPAC3-piperidin-4-yl-N-[2-(2,2,2-trifluoroethoxy)phenyl]butanamide
SMILESCC(CC(=O)Nc1ccccc1OCC(F)(F)F)C1CCNCC1
InChIInChI=1S/C17H23F3N2O2/c1-12(13-6-8-21-9-7-13)10-16(23)22-14-4-2-3-5-15(14)24-11-17(18,19)20/h2-5,12-13,21H,6-11H2,1H3,(H,22,23)
InChIKeyDDOANFMQPHYNET-UHFFFAOYSA-N
MW344.38 g/mol
LogP3.59
Rot. Bonds6

About 3-piperidin-4-yl-N-[2-(2,2,2-trifluoroethoxy)phenyl]butanamide

3-piperidin-4-yl-N-[2-(2,2,2-trifluoroethoxy)phenyl]butanamide (PubChem CID 119700416) has the molecular formula C17H23F3N2O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is 3-piperidin-4-yl-N-[2-(2,2,2-trifluoroethoxy)phenyl]butanamide.

Molecular Properties

Compound Name3-piperidin-4-yl-N-[2-(2,2,2-trifluoroethoxy)phenyl]butanamide
PubChem CID119700416
Molecular FormulaC17H23F3N2O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC Name3-piperidin-4-yl-N-[2-(2,2,2-trifluoroethoxy)phenyl]butanamide
SMILESCC(CC(=O)Nc1ccccc1OCC(F)(F)F)C1CCNCC1
InChIInChI=1S/C17H23F3N2O2/c1-12(13-6-8-21-9-7-13)10-16(23)22-14-4-2-3-5-15(14)24-11-17(18,19)20/h2-5,12-13,21H,6-11H2,1H3,(H,22,23)
InChIKeyDDOANFMQPHYNET-UHFFFAOYSA-N
XLogP3.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,2-difluoroethoxy)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119814484
3-piperidin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide;hydrochloride
CID 119698638
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperidin-4-ylbutanamide
CID 119744029
N-(2-tert-butylphenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119399928
N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide
CID 119811192
N-[2-(difluoromethylsulfanyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119687144
N-[2-(2,2-difluoroethoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119814476
N-[2-(ethylaminomethyl)phenyl]-3-piperidin-4-ylbutanamide
CID 122080277
N-[2-(2-methylpropoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119714831
3-piperidin-4-yl-N-(2,4,5-trimethoxyphenyl)butanamide
CID 119808136
2-(cyclopropylamino)-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 60716131
N-[2-acetamido-5-(trifluoromethyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119707018

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-N-[2-(2,2,2-trifluoroethoxy)phenyl]butanamide?
The IUPAC name of 3-piperidin-4-yl-N-[2-(2,2,2-trifluoroethoxy)phenyl]butanamide (CID 119700416) is 3-piperidin-4-yl-N-[2-(2,2,2-trifluoroethoxy)phenyl]butanamide.
What is the SMILES notation for 3-piperidin-4-yl-N-[2-(2,2,2-trifluoroethoxy)phenyl]butanamide?
The canonical SMILES for 3-piperidin-4-yl-N-[2-(2,2,2-trifluoroethoxy)phenyl]butanamide is CC(CC(=O)Nc1ccccc1OCC(F)(F)F)C1CCNCC1.
What is the InChIKey of 3-piperidin-4-yl-N-[2-(2,2,2-trifluoroethoxy)phenyl]butanamide?
The InChIKey is DDOANFMQPHYNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O2/c1-12(13-6-8-21-9-7-13)10-16(23)22-14-4-2-3-5-15(14)24-11-17(18,19)20/h2-5,12-13,21H,6-11H2,1H3,(H,22,23).
What are the key properties of 3-piperidin-4-yl-N-[2-(2,2,2-trifluoroethoxy)phenyl]butanamide?
3-piperidin-4-yl-N-[2-(2,2,2-trifluoroethoxy)phenyl]butanamide has a molecular weight of 344.38 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-N-[2-(2,2,2-trifluoroethoxy)phenyl]butanamide is sourced from PubChem (CID 119700416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).