N-ethyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carboxamide

C12H17F3N4O — CID 71994495

IUPACN-ethyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1
InChIInChI=1S/C12H17F3N4O/c1-2-16-11(20)19-5-3-8(4-6-19)10-17-7-9(18-10)12(13,14)15/h7-8H,2-6H2,1H3,(H,16,20)(H,17,18)
InChIKeyVONJLBHRCFHCGL-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.34
Rot. Bonds2

About N-ethyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carboxamide

N-ethyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carboxamide (PubChem CID 71994495) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is N-ethyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carboxamide
PubChem CID71994495
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC NameN-ethyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1
InChIInChI=1S/C12H17F3N4O/c1-2-16-11(20)19-5-3-8(4-6-19)10-17-7-9(18-10)12(13,14)15/h7-8H,2-6H2,1H3,(H,16,20)(H,17,18)
InChIKeyVONJLBHRCFHCGL-UHFFFAOYSA-N
XLogP2.34
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-ethyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carboxamide (CID 71994495) is N-ethyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-ethyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carboxamide is CCNC(=O)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1.
What is the InChIKey of N-ethyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carboxamide?
The InChIKey is VONJLBHRCFHCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-2-16-11(20)19-5-3-8(4-6-19)10-17-7-9(18-10)12(13,14)15/h7-8H,2-6H2,1H3,(H,16,20)(H,17,18).
What are the key properties of N-ethyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carboxamide?
N-ethyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carboxamide has a molecular weight of 290.29 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 71994495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).