(3-ethylpiperazin-1-yl)-[3-[4-(trifluoromethyl)-2-pyridinyl]phenyl]methanone

C19H20F3N3O — CID 119058466

IUPAC(3-ethylpiperazin-1-yl)-[3-[4-(trifluoromethyl)-2-pyridinyl]phenyl]methanone
SMILESCCC1CN(C(=O)c2cccc(-c3cc(C(F)(F)F)ccn3)c2)CCN1
InChIInChI=1S/C19H20F3N3O/c1-2-16-12-25(9-8-23-16)18(26)14-5-3-4-13(10-14)17-11-15(6-7-24-17)19(20,21)22/h3-7,10-11,16,23H,2,8-9,12H2,1H3
InChIKeyLREOXKQEBUWAJI-UHFFFAOYSA-N
MW363.38 g/mol
LogP3.59
Rot. Bonds3

About (3-ethylpiperazin-1-yl)-[3-[4-(trifluoromethyl)-2-pyridinyl]phenyl]methanone

(3-ethylpiperazin-1-yl)-[3-[4-(trifluoromethyl)-2-pyridinyl]phenyl]methanone (PubChem CID 119058466) has the molecular formula C19H20F3N3O and a molecular weight of 363.38 g/mol. Its IUPAC name is (3-ethylpiperazin-1-yl)-[3-[4-(trifluoromethyl)-2-pyridinyl]phenyl]methanone.

Molecular Properties

Compound Name(3-ethylpiperazin-1-yl)-[3-[4-(trifluoromethyl)-2-pyridinyl]phenyl]methanone
PubChem CID119058466
Molecular FormulaC19H20F3N3O
Molecular Weight363.38 g/mol
Exact Mass363.16
IUPAC Name(3-ethylpiperazin-1-yl)-[3-[4-(trifluoromethyl)-2-pyridinyl]phenyl]methanone
SMILESCCC1CN(C(=O)c2cccc(-c3cc(C(F)(F)F)ccn3)c2)CCN1
InChIInChI=1S/C19H20F3N3O/c1-2-16-12-25(9-8-23-16)18(26)14-5-3-4-13(10-14)17-11-15(6-7-24-17)19(20,21)22/h3-7,10-11,16,23H,2,8-9,12H2,1H3
InChIKeyLREOXKQEBUWAJI-UHFFFAOYSA-N
XLogP3.59
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethylpiperazin-1-yl)-[3-[6-[4-methoxy-3-(trifluoromethyl)phenyl]quinazolin-4-yl]phenyl]methanone
CID 123637401
(3-bromophenyl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 91625432
(3-fluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone
CID 82246689
[(3R)-3-ethylpiperazin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273992
2-[3-[(3S)-3-propoxypiperidine-1-carbonyl]phenyl]pyridine-4-carboxylic acid
CID 125163547
(3-methylpiperazin-1-yl)-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]methanone
CID 166250479
[4-(2,4-dichlorophenyl)phenyl]-(3-ethylpiperazin-1-yl)methanone
CID 121497504
(3R)-3-methyl-4-[4-[4-(trifluoromethyl)-2-pyridinyl]benzoyl]piperazin-2-one
CID 126434667
nitrous acid;2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
CID 175527082
[1-[3-(1H-imidazol-2-yl)benzoyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 45218504
[3-(dimethylamino)phenyl]-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 124966949
quinolin-6-yl-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 129453468

Frequently Asked Questions

What is the IUPAC name of (3-ethylpiperazin-1-yl)-[3-[4-(trifluoromethyl)-2-pyridinyl]phenyl]methanone?
The IUPAC name of (3-ethylpiperazin-1-yl)-[3-[4-(trifluoromethyl)-2-pyridinyl]phenyl]methanone (CID 119058466) is (3-ethylpiperazin-1-yl)-[3-[4-(trifluoromethyl)-2-pyridinyl]phenyl]methanone.
What is the SMILES notation for (3-ethylpiperazin-1-yl)-[3-[4-(trifluoromethyl)-2-pyridinyl]phenyl]methanone?
The canonical SMILES for (3-ethylpiperazin-1-yl)-[3-[4-(trifluoromethyl)-2-pyridinyl]phenyl]methanone is CCC1CN(C(=O)c2cccc(-c3cc(C(F)(F)F)ccn3)c2)CCN1.
What is the InChIKey of (3-ethylpiperazin-1-yl)-[3-[4-(trifluoromethyl)-2-pyridinyl]phenyl]methanone?
The InChIKey is LREOXKQEBUWAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O/c1-2-16-12-25(9-8-23-16)18(26)14-5-3-4-13(10-14)17-11-15(6-7-24-17)19(20,21)22/h3-7,10-11,16,23H,2,8-9,12H2,1H3.
What are the key properties of (3-ethylpiperazin-1-yl)-[3-[4-(trifluoromethyl)-2-pyridinyl]phenyl]methanone?
(3-ethylpiperazin-1-yl)-[3-[4-(trifluoromethyl)-2-pyridinyl]phenyl]methanone has a molecular weight of 363.38 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylpiperazin-1-yl)-[3-[4-(trifluoromethyl)-2-pyridinyl]phenyl]methanone is sourced from PubChem (CID 119058466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).