3-imidazol-1-yl-1-[(3-methylthiophen-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C17H21F3N4OS — CID 155871214

IUPAC3-imidazol-1-yl-1-[(3-methylthiophen-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCc1ccsc1CN1CCCC(C(=O)NCC(F)(F)F)(n2ccnc2)C1
InChIInChI=1S/C17H21F3N4OS/c1-13-3-8-26-14(13)9-23-6-2-4-16(11-23,24-7-5-21-12-24)15(25)22-10-17(18,19)20/h3,5,7-8,12H,2,4,6,9-11H2,1H3,(H,22,25)
InChIKeyZMMIJMODTMRVFX-UHFFFAOYSA-N
MW386.44 g/mol
LogP2.92
Rot. Bonds5

About 3-imidazol-1-yl-1-[(3-methylthiophen-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

3-imidazol-1-yl-1-[(3-methylthiophen-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 155871214) has the molecular formula C17H21F3N4OS and a molecular weight of 386.44 g/mol. Its IUPAC name is 3-imidazol-1-yl-1-[(3-methylthiophen-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name3-imidazol-1-yl-1-[(3-methylthiophen-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID155871214
Molecular FormulaC17H21F3N4OS
Molecular Weight386.44 g/mol
Exact Mass386.14
IUPAC Name3-imidazol-1-yl-1-[(3-methylthiophen-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCc1ccsc1CN1CCCC(C(=O)NCC(F)(F)F)(n2ccnc2)C1
InChIInChI=1S/C17H21F3N4OS/c1-13-3-8-26-14(13)9-23-6-2-4-16(11-23,24-7-5-21-12-24)15(25)22-10-17(18,19)20/h3,5,7-8,12H,2,4,6,9-11H2,1H3,(H,22,25)
InChIKeyZMMIJMODTMRVFX-UHFFFAOYSA-N
XLogP2.92
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-1-[(3-methylthiophen-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of 3-imidazol-1-yl-1-[(3-methylthiophen-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 155871214) is 3-imidazol-1-yl-1-[(3-methylthiophen-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for 3-imidazol-1-yl-1-[(3-methylthiophen-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for 3-imidazol-1-yl-1-[(3-methylthiophen-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is Cc1ccsc1CN1CCCC(C(=O)NCC(F)(F)F)(n2ccnc2)C1.
What is the InChIKey of 3-imidazol-1-yl-1-[(3-methylthiophen-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is ZMMIJMODTMRVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4OS/c1-13-3-8-26-14(13)9-23-6-2-4-16(11-23,24-7-5-21-12-24)15(25)22-10-17(18,19)20/h3,5,7-8,12H,2,4,6,9-11H2,1H3,(H,22,25).
What are the key properties of 3-imidazol-1-yl-1-[(3-methylthiophen-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
3-imidazol-1-yl-1-[(3-methylthiophen-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 386.44 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-1-[(3-methylthiophen-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 155871214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).