thiophen-2-yl-[3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone

C18H18F3NO2S — CID 46028938

IUPACthiophen-2-yl-[3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone
SMILESO=C(c1cccs1)N1CCCC(OCc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C18H18F3NO2S/c19-18(20,21)14-5-1-4-13(10-14)12-24-15-6-2-8-22(11-15)17(23)16-7-3-9-25-16/h1,3-5,7,9-10,15H,2,6,8,11-12H2
InChIKeyMMVWOYVCKSZHSM-UHFFFAOYSA-N
MW369.41 g/mol
LogP4.59
Rot. Bonds4

About thiophen-2-yl-[3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone

thiophen-2-yl-[3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone (PubChem CID 46028938) has the molecular formula C18H18F3NO2S and a molecular weight of 369.41 g/mol. Its IUPAC name is thiophen-2-yl-[3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Namethiophen-2-yl-[3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone
PubChem CID46028938
Molecular FormulaC18H18F3NO2S
Molecular Weight369.41 g/mol
Exact Mass369.10
IUPAC Namethiophen-2-yl-[3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone
SMILESO=C(c1cccs1)N1CCCC(OCc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C18H18F3NO2S/c19-18(20,21)14-5-1-4-13(10-14)12-24-15-6-2-8-22(11-15)17(23)16-7-3-9-25-16/h1,3-5,7,9-10,15H,2,6,8,11-12H2
InChIKeyMMVWOYVCKSZHSM-UHFFFAOYSA-N
XLogP4.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of thiophen-2-yl-[3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone?
The IUPAC name of thiophen-2-yl-[3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone (CID 46028938) is thiophen-2-yl-[3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone.
What is the SMILES notation for thiophen-2-yl-[3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone?
The canonical SMILES for thiophen-2-yl-[3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone is O=C(c1cccs1)N1CCCC(OCc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of thiophen-2-yl-[3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone?
The InChIKey is MMVWOYVCKSZHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO2S/c19-18(20,21)14-5-1-4-13(10-14)12-24-15-6-2-8-22(11-15)17(23)16-7-3-9-25-16/h1,3-5,7,9-10,15H,2,6,8,11-12H2.
What are the key properties of thiophen-2-yl-[3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone?
thiophen-2-yl-[3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone has a molecular weight of 369.41 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-yl-[3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone is sourced from PubChem (CID 46028938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).