4-(2-imidazol-1-ylethyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide

C17H20F3N5O — CID 90533532

IUPAC4-(2-imidazol-1-ylethyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)N1CCN(CCn2ccnc2)CC1
InChIInChI=1S/C17H20F3N5O/c18-17(19,20)14-3-1-2-4-15(14)22-16(26)25-11-9-23(10-12-25)7-8-24-6-5-21-13-24/h1-6,13H,7-12H2,(H,22,26)
InChIKeyMUXGSPFNQBSSIZ-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.75
Rot. Bonds4

About 4-(2-imidazol-1-ylethyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide

4-(2-imidazol-1-ylethyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 90533532) has the molecular formula C17H20F3N5O and a molecular weight of 367.38 g/mol. Its IUPAC name is 4-(2-imidazol-1-ylethyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-imidazol-1-ylethyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID90533532
Molecular FormulaC17H20F3N5O
Molecular Weight367.38 g/mol
Exact Mass367.16
IUPAC Name4-(2-imidazol-1-ylethyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)N1CCN(CCn2ccnc2)CC1
InChIInChI=1S/C17H20F3N5O/c18-17(19,20)14-3-1-2-4-15(14)22-16(26)25-11-9-23(10-12-25)7-8-24-6-5-21-13-24/h1-6,13H,7-12H2,(H,22,26)
InChIKeyMUXGSPFNQBSSIZ-UHFFFAOYSA-N
XLogP2.75
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-butyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 17185767
N-(4-imidazol-1-ylbutyl)-2-(trifluoromethyl)aniline
CID 62313288
N-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-4-(2-imidazol-1-ylethyl)piperazine-1-carboxamide
CID 171093247
4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 122338684
(2-fluorophenyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
CID 90533244
4-(2-imidazol-1-ylethyl)-N-prop-2-enylpiperazine-1-carboxamide
CID 90533539
4-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 90571956
4-benzyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 3857364
N-(2-tert-butylphenyl)-4-propylpiperazine-1-carboxamide
CID 113103174
4-(triazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 121165130
4-(6-pyrrol-1-ylpyridazin-3-yl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 122341773
(3R)-3-hydroxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 78931972

Frequently Asked Questions

What is the IUPAC name of 4-(2-imidazol-1-ylethyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-imidazol-1-ylethyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 90533532) is 4-(2-imidazol-1-ylethyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-imidazol-1-ylethyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-imidazol-1-ylethyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide is O=C(Nc1ccccc1C(F)(F)F)N1CCN(CCn2ccnc2)CC1.
What is the InChIKey of 4-(2-imidazol-1-ylethyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is MUXGSPFNQBSSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O/c18-17(19,20)14-3-1-2-4-15(14)22-16(26)25-11-9-23(10-12-25)7-8-24-6-5-21-13-24/h1-6,13H,7-12H2,(H,22,26).
What are the key properties of 4-(2-imidazol-1-ylethyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
4-(2-imidazol-1-ylethyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 367.38 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-imidazol-1-ylethyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 90533532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).