4-imidazol-1-yl-1-(thiophen-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C16H19F3N4OS — CID 155871121

IUPAC4-imidazol-1-yl-1-(thiophen-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESO=C(NCC(F)(F)F)C1(n2ccnc2)CCN(Cc2cccs2)CC1
InChIInChI=1S/C16H19F3N4OS/c17-16(18,19)11-21-14(24)15(23-8-5-20-12-23)3-6-22(7-4-15)10-13-2-1-9-25-13/h1-2,5,8-9,12H,3-4,6-7,10-11H2,(H,21,24)
InChIKeyHTKOHUDLDWUTTO-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.61
Rot. Bonds5

About 4-imidazol-1-yl-1-(thiophen-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

4-imidazol-1-yl-1-(thiophen-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 155871121) has the molecular formula C16H19F3N4OS and a molecular weight of 372.42 g/mol. Its IUPAC name is 4-imidazol-1-yl-1-(thiophen-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-imidazol-1-yl-1-(thiophen-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID155871121
Molecular FormulaC16H19F3N4OS
Molecular Weight372.42 g/mol
Exact Mass372.12
IUPAC Name4-imidazol-1-yl-1-(thiophen-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESO=C(NCC(F)(F)F)C1(n2ccnc2)CCN(Cc2cccs2)CC1
InChIInChI=1S/C16H19F3N4OS/c17-16(18,19)11-21-14(24)15(23-8-5-20-12-23)3-6-22(7-4-15)10-13-2-1-9-25-13/h1-2,5,8-9,12H,3-4,6-7,10-11H2,(H,21,24)
InChIKeyHTKOHUDLDWUTTO-UHFFFAOYSA-N
XLogP2.61
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-1-(thiophen-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of 4-imidazol-1-yl-1-(thiophen-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 155871121) is 4-imidazol-1-yl-1-(thiophen-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-imidazol-1-yl-1-(thiophen-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for 4-imidazol-1-yl-1-(thiophen-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is O=C(NCC(F)(F)F)C1(n2ccnc2)CCN(Cc2cccs2)CC1.
What is the InChIKey of 4-imidazol-1-yl-1-(thiophen-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is HTKOHUDLDWUTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4OS/c17-16(18,19)11-21-14(24)15(23-8-5-20-12-23)3-6-22(7-4-15)10-13-2-1-9-25-13/h1-2,5,8-9,12H,3-4,6-7,10-11H2,(H,21,24).
What are the key properties of 4-imidazol-1-yl-1-(thiophen-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
4-imidazol-1-yl-1-(thiophen-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 372.42 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-1-(thiophen-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 155871121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).