[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

C17H19F3N4O — CID 25284890

IUPAC[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESCCn1ccnc1N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C17H19F3N4O/c1-2-22-8-7-21-16(22)24-11-9-23(10-12-24)15(25)13-5-3-4-6-14(13)17(18,19)20/h3-8H,2,9-12H2,1H3
InChIKeySPTHYSLAWTZAPZ-UHFFFAOYSA-N
MW352.36 g/mol
LogP2.88
Rot. Bonds3

About [4-(1-ethylimidazol-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 25284890) has the molecular formula C17H19F3N4O and a molecular weight of 352.36 g/mol. Its IUPAC name is [4-(1-ethylimidazol-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
PubChem CID25284890
Molecular FormulaC17H19F3N4O
Molecular Weight352.36 g/mol
Exact Mass352.15
IUPAC Name[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESCCn1ccnc1N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C17H19F3N4O/c1-2-22-8-7-21-16(22)24-11-9-23(10-12-24)15(25)13-5-3-4-6-14(13)17(18,19)20/h3-8H,2,9-12H2,1H3
InChIKeySPTHYSLAWTZAPZ-UHFFFAOYSA-N
XLogP2.88
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 25284874
[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-(3-fluorophenyl)methanone;hydrochloride
CID 71779994
(2-ethylsulfanyl-4-pyridinyl)-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone
CID 55996701
(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 141143818
(4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 13298543
1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-phenylethanone;hydrochloride
CID 45284224
1-benzofuran-2-yl-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 45284243
[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 72866686
[4-[5-(hydroxymethyl)-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 71083396
[4-(2-chlorobenzoyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 32753291
(4-hydroxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 80707552
[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 46093497

Frequently Asked Questions

What is the IUPAC name of [4-(1-ethylimidazol-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-(1-ethylimidazol-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (CID 25284890) is [4-(1-ethylimidazol-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-(1-ethylimidazol-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-(1-ethylimidazol-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is CCn1ccnc1N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of [4-(1-ethylimidazol-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is SPTHYSLAWTZAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O/c1-2-22-8-7-21-16(22)24-11-9-23(10-12-24)15(25)13-5-3-4-6-14(13)17(18,19)20/h3-8H,2,9-12H2,1H3.
What are the key properties of [4-(1-ethylimidazol-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 352.36 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-ethylimidazol-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 25284890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).