N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(trifluoromethylsulfanyl)acetamide

C17H23F3N2OS — CID 55650881

IUPACN-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(trifluoromethylsulfanyl)acetamide
SMILESCC1CCN(Cc2ccc(CNC(=O)CSC(F)(F)F)cc2)CC1
InChIInChI=1S/C17H23F3N2OS/c1-13-6-8-22(9-7-13)11-15-4-2-14(3-5-15)10-21-16(23)12-24-17(18,19)20/h2-5,13H,6-12H2,1H3,(H,21,23)
InChIKeyFCNNCPNYPLCHRY-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.79
Rot. Bonds6

About N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(trifluoromethylsulfanyl)acetamide

N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(trifluoromethylsulfanyl)acetamide (PubChem CID 55650881) has the molecular formula C17H23F3N2OS and a molecular weight of 360.45 g/mol. Its IUPAC name is N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(trifluoromethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(trifluoromethylsulfanyl)acetamide
PubChem CID55650881
Molecular FormulaC17H23F3N2OS
Molecular Weight360.45 g/mol
Exact Mass360.15
IUPAC NameN-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(trifluoromethylsulfanyl)acetamide
SMILESCC1CCN(Cc2ccc(CNC(=O)CSC(F)(F)F)cc2)CC1
InChIInChI=1S/C17H23F3N2OS/c1-13-6-8-22(9-7-13)11-15-4-2-14(3-5-15)10-21-16(23)12-24-17(18,19)20/h2-5,13H,6-12H2,1H3,(H,21,23)
InChIKeyFCNNCPNYPLCHRY-UHFFFAOYSA-N
XLogP3.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethylamino)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide;dihydrochloride
CID 119845098
2-(4-methylpiperidin-1-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 8558402
N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(4-nitrophenyl)sulfanylacetamide
CID 36527467
4-fluoro-N-[2-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]benzamide
CID 38401061
7-amino-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]heptanamide;dihydrochloride
CID 119845060
N-[4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 38046570
4-amino-3-methoxy-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide
CID 120595212
N-[(4-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 2654996
N-benzyl-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43918767
(2S)-2-amino-3,3-dimethyl-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide;dihydrochloride
CID 119845096
4-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine
CID 53443850
N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]furan-3-carboxamide
CID 39997651

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(trifluoromethylsulfanyl)acetamide?
The IUPAC name of N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(trifluoromethylsulfanyl)acetamide (CID 55650881) is N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(trifluoromethylsulfanyl)acetamide.
What is the SMILES notation for N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(trifluoromethylsulfanyl)acetamide?
The canonical SMILES for N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(trifluoromethylsulfanyl)acetamide is CC1CCN(Cc2ccc(CNC(=O)CSC(F)(F)F)cc2)CC1.
What is the InChIKey of N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(trifluoromethylsulfanyl)acetamide?
The InChIKey is FCNNCPNYPLCHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2OS/c1-13-6-8-22(9-7-13)11-15-4-2-14(3-5-15)10-21-16(23)12-24-17(18,19)20/h2-5,13H,6-12H2,1H3,(H,21,23).
What are the key properties of N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(trifluoromethylsulfanyl)acetamide?
N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(trifluoromethylsulfanyl)acetamide has a molecular weight of 360.45 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(trifluoromethylsulfanyl)acetamide is sourced from PubChem (CID 55650881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).