N-(2-piperidin-3-ylethyl)-4-(trifluoromethylsulfanyl)benzamide

C15H19F3N2OS — CID 119557493

IUPACN-(2-piperidin-3-ylethyl)-4-(trifluoromethylsulfanyl)benzamide
SMILESO=C(NCCC1CCCNC1)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C15H19F3N2OS/c16-15(17,18)22-13-5-3-12(4-6-13)14(21)20-9-7-11-2-1-8-19-10-11/h3-6,11,19H,1-2,7-10H2,(H,20,21)
InChIKeyWELBTDYDTJNCSL-UHFFFAOYSA-N
MW332.39 g/mol
LogP3.42
Rot. Bonds5

About N-(2-piperidin-3-ylethyl)-4-(trifluoromethylsulfanyl)benzamide

N-(2-piperidin-3-ylethyl)-4-(trifluoromethylsulfanyl)benzamide (PubChem CID 119557493) has the molecular formula C15H19F3N2OS and a molecular weight of 332.39 g/mol. Its IUPAC name is N-(2-piperidin-3-ylethyl)-4-(trifluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(2-piperidin-3-ylethyl)-4-(trifluoromethylsulfanyl)benzamide
PubChem CID119557493
Molecular FormulaC15H19F3N2OS
Molecular Weight332.39 g/mol
Exact Mass332.12
IUPAC NameN-(2-piperidin-3-ylethyl)-4-(trifluoromethylsulfanyl)benzamide
SMILESO=C(NCCC1CCCNC1)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C15H19F3N2OS/c16-15(17,18)22-13-5-3-12(4-6-13)14(21)20-9-7-11-2-1-8-19-10-11/h3-6,11,19H,1-2,7-10H2,(H,20,21)
InChIKeyWELBTDYDTJNCSL-UHFFFAOYSA-N
XLogP3.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(piperidin-3-ylmethyl)-4-(trifluoromethylsulfanyl)benzamide;hydrochloride
CID 119462479
4-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554925
4-N-(2,2-dimethylpropyl)-1-N-(2-piperidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119558369
4-methoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556793
4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628906
4-tert-butyl-N-[3-oxo-3-(2-piperidin-3-ylethylamino)propyl]benzamide
CID 119556823
N-(2-piperidin-3-ylethyl)-4-(1H-pyrrole-3-carbonyl)benzamide;hydrochloride
CID 119559628
4-(difluoromethylsulfonyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556890
3-fluoro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556963
4-chloro-3-fluoro-N-(2-piperidin-3-ylethyl)benzamide
CID 107990343
3-bromo-4-chloro-N-(2-piperidin-3-ylethyl)benzamide
CID 107990344
4-(tert-butylsulfamoyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555746

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-3-ylethyl)-4-(trifluoromethylsulfanyl)benzamide?
The IUPAC name of N-(2-piperidin-3-ylethyl)-4-(trifluoromethylsulfanyl)benzamide (CID 119557493) is N-(2-piperidin-3-ylethyl)-4-(trifluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-(2-piperidin-3-ylethyl)-4-(trifluoromethylsulfanyl)benzamide?
The canonical SMILES for N-(2-piperidin-3-ylethyl)-4-(trifluoromethylsulfanyl)benzamide is O=C(NCCC1CCCNC1)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of N-(2-piperidin-3-ylethyl)-4-(trifluoromethylsulfanyl)benzamide?
The InChIKey is WELBTDYDTJNCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2OS/c16-15(17,18)22-13-5-3-12(4-6-13)14(21)20-9-7-11-2-1-8-19-10-11/h3-6,11,19H,1-2,7-10H2,(H,20,21).
What are the key properties of N-(2-piperidin-3-ylethyl)-4-(trifluoromethylsulfanyl)benzamide?
N-(2-piperidin-3-ylethyl)-4-(trifluoromethylsulfanyl)benzamide has a molecular weight of 332.39 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-3-ylethyl)-4-(trifluoromethylsulfanyl)benzamide is sourced from PubChem (CID 119557493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).