4-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide

C10H17F3N2O2S — CID 99773484

IUPAC4-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide
SMILESCOC1CCN(C(=O)NCCSC(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O2S/c1-17-8-2-5-15(6-3-8)9(16)14-4-7-18-10(11,12)13/h8H,2-7H2,1H3,(H,14,16)
InChIKeyQYXRTCBQHBPTCX-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.06
Rot. Bonds4

About 4-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide

4-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide (PubChem CID 99773484) has the molecular formula C10H17F3N2O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is 4-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide
PubChem CID99773484
Molecular FormulaC10H17F3N2O2S
Molecular Weight286.32 g/mol
Exact Mass286.10
IUPAC Name4-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide
SMILESCOC1CCN(C(=O)NCCSC(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O2S/c1-17-8-2-5-15(6-3-8)9(16)14-4-7-18-10(11,12)13/h8H,2-7H2,1H3,(H,14,16)
InChIKeyQYXRTCBQHBPTCX-UHFFFAOYSA-N
XLogP2.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 4-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide (CID 99773484) is 4-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide is COC1CCN(C(=O)NCCSC(F)(F)F)CC1.
What is the InChIKey of 4-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide?
The InChIKey is QYXRTCBQHBPTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2S/c1-17-8-2-5-15(6-3-8)9(16)14-4-7-18-10(11,12)13/h8H,2-7H2,1H3,(H,14,16).
What are the key properties of 4-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide?
4-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide has a molecular weight of 286.32 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 99773484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).