N-(2-piperidin-3-ylethyl)-3-[4-(trifluoromethyl)phenyl]butanamide

C18H25F3N2O — CID 119557662

IUPACN-(2-piperidin-3-ylethyl)-3-[4-(trifluoromethyl)phenyl]butanamide
SMILESCC(CC(=O)NCCC1CCCNC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H25F3N2O/c1-13(15-4-6-16(7-5-15)18(19,20)21)11-17(24)23-10-8-14-3-2-9-22-12-14/h4-7,13-14,22H,2-3,8-12H2,1H3,(H,23,24)
InChIKeyGQDMOHKKTFOIPK-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.70
Rot. Bonds6

About N-(2-piperidin-3-ylethyl)-3-[4-(trifluoromethyl)phenyl]butanamide

N-(2-piperidin-3-ylethyl)-3-[4-(trifluoromethyl)phenyl]butanamide (PubChem CID 119557662) has the molecular formula C18H25F3N2O and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(2-piperidin-3-ylethyl)-3-[4-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound NameN-(2-piperidin-3-ylethyl)-3-[4-(trifluoromethyl)phenyl]butanamide
PubChem CID119557662
Molecular FormulaC18H25F3N2O
Molecular Weight342.40 g/mol
Exact Mass342.19
IUPAC NameN-(2-piperidin-3-ylethyl)-3-[4-(trifluoromethyl)phenyl]butanamide
SMILESCC(CC(=O)NCCC1CCCNC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H25F3N2O/c1-13(15-4-6-16(7-5-15)18(19,20)21)11-17(24)23-10-8-14-3-2-9-22-12-14/h4-7,13-14,22H,2-3,8-12H2,1H3,(H,23,24)
InChIKeyGQDMOHKKTFOIPK-UHFFFAOYSA-N
XLogP3.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-fluorophenyl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119556662
4,4,4-trifluoro-3-phenyl-N-(2-piperidin-3-ylethyl)butanamide
CID 119557143
N-(2-pyrrolidin-3-ylethyl)-3-[2-(trifluoromethyl)phenyl]butanamide
CID 119537602
3-(2-methoxyphenyl)-N-(2-piperidin-3-ylethyl)butanamide
CID 119555918
N-(2-piperidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119558465
N-(2-piperidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 119555497
N-(3-cyclopentylpropyl)-3-(4-fluorophenyl)butanamide
CID 55923475
N-(piperidin-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 80554145
3-piperidin-4-yl-N-(2-piperidin-3-ylethyl)butanamide
CID 122080536
N-(3-piperazin-1-ylpropyl)-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119392989
4-tert-butyl-N-[3-oxo-3-(2-piperidin-3-ylethylamino)propyl]benzamide
CID 119556823
N-(piperidin-3-ylmethyl)-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119464051

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-3-ylethyl)-3-[4-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of N-(2-piperidin-3-ylethyl)-3-[4-(trifluoromethyl)phenyl]butanamide (CID 119557662) is N-(2-piperidin-3-ylethyl)-3-[4-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for N-(2-piperidin-3-ylethyl)-3-[4-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for N-(2-piperidin-3-ylethyl)-3-[4-(trifluoromethyl)phenyl]butanamide is CC(CC(=O)NCCC1CCCNC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-piperidin-3-ylethyl)-3-[4-(trifluoromethyl)phenyl]butanamide?
The InChIKey is GQDMOHKKTFOIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O/c1-13(15-4-6-16(7-5-15)18(19,20)21)11-17(24)23-10-8-14-3-2-9-22-12-14/h4-7,13-14,22H,2-3,8-12H2,1H3,(H,23,24).
What are the key properties of N-(2-piperidin-3-ylethyl)-3-[4-(trifluoromethyl)phenyl]butanamide?
N-(2-piperidin-3-ylethyl)-3-[4-(trifluoromethyl)phenyl]butanamide has a molecular weight of 342.40 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-3-ylethyl)-3-[4-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 119557662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).