N-piperidin-4-yl-N-propyl-2-(trifluoromethylsulfanyl)acetamide;hydrochloride

C11H20ClF3N2OS — CID 119823659

IUPACN-piperidin-4-yl-N-propyl-2-(trifluoromethylsulfanyl)acetamide;hydrochloride
SMILESCCCN(C(=O)CSC(F)(F)F)C1CCNCC1.Cl
InChIInChI=1S/C11H19F3N2OS.ClH/c1-2-7-16(9-3-5-15-6-4-9)10(17)8-18-11(12,13)14;/h9,15H,2-8H2,1H3;1H
InChIKeyXJCJOBPNOARSRT-UHFFFAOYSA-N
MW320.81 g/mol
LogP2.65
Rot. Bonds5

About N-piperidin-4-yl-N-propyl-2-(trifluoromethylsulfanyl)acetamide;hydrochloride

N-piperidin-4-yl-N-propyl-2-(trifluoromethylsulfanyl)acetamide;hydrochloride (PubChem CID 119823659) has the molecular formula C11H20ClF3N2OS and a molecular weight of 320.81 g/mol. Its IUPAC name is N-piperidin-4-yl-N-propyl-2-(trifluoromethylsulfanyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-piperidin-4-yl-N-propyl-2-(trifluoromethylsulfanyl)acetamide;hydrochloride
PubChem CID119823659
Molecular FormulaC11H20ClF3N2OS
Molecular Weight320.81 g/mol
Exact Mass320.09
IUPAC NameN-piperidin-4-yl-N-propyl-2-(trifluoromethylsulfanyl)acetamide;hydrochloride
SMILESCCCN(C(=O)CSC(F)(F)F)C1CCNCC1.Cl
InChIInChI=1S/C11H19F3N2OS.ClH/c1-2-7-16(9-3-5-15-6-4-9)10(17)8-18-11(12,13)14;/h9,15H,2-8H2,1H3;1H
InChIKeyXJCJOBPNOARSRT-UHFFFAOYSA-N
XLogP2.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.81
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3,3-trifluoro-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824721
N-piperidin-4-yl-N-propyl-2-propylsulfanylacetamide;hydrochloride
CID 119824316
3,3-dimethyl-5-oxo-5-[piperidin-4-yl(propyl)amino]pentanoic acid
CID 62935444
3-ethyl-N-piperidin-4-yl-N-propylpentanamide;hydrochloride
CID 119824289
N-piperidin-4-yl-N-propylhexanamide
CID 60807623
N-piperidin-4-yl-N-propyl-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119825007
2-methyl-N-piperidin-4-yl-N-propylcyclopropane-1-carboxamide
CID 60806583
3-methylsulfonyl-N-piperidin-4-yl-N-propylpropanamide
CID 54895477
N,N-diethyl-N'-piperidin-4-yl-N'-propylpentanediamide
CID 119823717
N-propyl-N-pyrrolidin-3-yl-3-(2,2,2-trifluoroethoxy)propanamide
CID 103806546
2-[2-[cyclopropyl(propyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569015
N-piperidin-4-yl-N-propylazepane-1-carboxamide
CID 79152738

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-N-propyl-2-(trifluoromethylsulfanyl)acetamide;hydrochloride?
The IUPAC name of N-piperidin-4-yl-N-propyl-2-(trifluoromethylsulfanyl)acetamide;hydrochloride (CID 119823659) is N-piperidin-4-yl-N-propyl-2-(trifluoromethylsulfanyl)acetamide;hydrochloride.
What is the SMILES notation for N-piperidin-4-yl-N-propyl-2-(trifluoromethylsulfanyl)acetamide;hydrochloride?
The canonical SMILES for N-piperidin-4-yl-N-propyl-2-(trifluoromethylsulfanyl)acetamide;hydrochloride is CCCN(C(=O)CSC(F)(F)F)C1CCNCC1.Cl.
What is the InChIKey of N-piperidin-4-yl-N-propyl-2-(trifluoromethylsulfanyl)acetamide;hydrochloride?
The InChIKey is XJCJOBPNOARSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2OS.ClH/c1-2-7-16(9-3-5-15-6-4-9)10(17)8-18-11(12,13)14;/h9,15H,2-8H2,1H3;1H.
What are the key properties of N-piperidin-4-yl-N-propyl-2-(trifluoromethylsulfanyl)acetamide;hydrochloride?
N-piperidin-4-yl-N-propyl-2-(trifluoromethylsulfanyl)acetamide;hydrochloride has a molecular weight of 320.81 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-N-propyl-2-(trifluoromethylsulfanyl)acetamide;hydrochloride is sourced from PubChem (CID 119823659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).