N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-piperidin-3-ylbutanamide

C16H20F4N2O — CID 119709850

IUPACN-[4-fluoro-3-(trifluoromethyl)phenyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)Nc1ccc(F)c(C(F)(F)F)c1)C1CCCNC1
InChIInChI=1S/C16H20F4N2O/c1-10(11-3-2-6-21-9-11)7-15(23)22-12-4-5-14(17)13(8-12)16(18,19)20/h4-5,8,10-11,21H,2-3,6-7,9H2,1H3,(H,22,23)
InChIKeyGXWDYXHRBQRKKB-UHFFFAOYSA-N
MW332.34 g/mol
LogP3.81
Rot. Bonds4

About N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-piperidin-3-ylbutanamide

N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-piperidin-3-ylbutanamide (PubChem CID 119709850) has the molecular formula C16H20F4N2O and a molecular weight of 332.34 g/mol. Its IUPAC name is N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-3-piperidin-3-ylbutanamide
PubChem CID119709850
Molecular FormulaC16H20F4N2O
Molecular Weight332.34 g/mol
Exact Mass332.15
IUPAC NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)Nc1ccc(F)c(C(F)(F)F)c1)C1CCCNC1
InChIInChI=1S/C16H20F4N2O/c1-10(11-3-2-6-21-9-11)7-15(23)22-12-4-5-14(17)13(8-12)16(18,19)20/h4-5,8,10-11,21H,2-3,6-7,9H2,1H3,(H,22,23)
InChIKeyGXWDYXHRBQRKKB-UHFFFAOYSA-N
XLogP3.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-piperidin-3-yl-N-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119671265
N-(5-acetamido-2-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705041
2-fluoro-N,N-dimethyl-5-(3-piperidin-3-ylbutanoylamino)benzamide;hydrochloride
CID 119798145
N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide
CID 119702961
N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671066
N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-piperidin-3-ylbutanamide
CID 119723826
N-(4-cyclobutyloxy-3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119811125
N-(3,5-difluoro-4-methoxyphenyl)-3-piperidin-3-ylbutanamide
CID 119725624
N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671636
N-(4-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670352
N-(3-bromo-4-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119704625
N,N-dimethyl-4-(3-piperidin-3-ylbutanoylamino)benzamide
CID 119684908

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-piperidin-3-ylbutanamide (CID 119709850) is N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-piperidin-3-ylbutanamide is CC(CC(=O)Nc1ccc(F)c(C(F)(F)F)c1)C1CCCNC1.
What is the InChIKey of N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-piperidin-3-ylbutanamide?
The InChIKey is GXWDYXHRBQRKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F4N2O/c1-10(11-3-2-6-21-9-11)7-15(23)22-12-4-5-14(17)13(8-12)16(18,19)20/h4-5,8,10-11,21H,2-3,6-7,9H2,1H3,(H,22,23).
What are the key properties of N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-piperidin-3-ylbutanamide?
N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-piperidin-3-ylbutanamide has a molecular weight of 332.34 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119709850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).