(2-ethoxy-3-pyridinyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

C18H19F3N4O2 — CID 4881950

IUPAC(2-ethoxy-3-pyridinyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESCCOc1ncccc1C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C18H19F3N4O2/c1-2-27-16-14(4-3-7-22-16)17(26)25-10-8-24(9-11-25)15-6-5-13(12-23-15)18(19,20)21/h3-7,12H,2,8-11H2,1H3
InChIKeyCLHCXXPJROCMEN-UHFFFAOYSA-N
MW380.37 g/mol
LogP2.86
Rot. Bonds4

About (2-ethoxy-3-pyridinyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

(2-ethoxy-3-pyridinyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 4881950) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is (2-ethoxy-3-pyridinyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethoxy-3-pyridinyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
PubChem CID4881950
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC Name(2-ethoxy-3-pyridinyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESCCOc1ncccc1C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C18H19F3N4O2/c1-2-27-16-14(4-3-7-22-16)17(26)25-10-8-24(9-11-25)15-6-5-13(12-23-15)18(19,20)21/h3-7,12H,2,8-11H2,1H3
InChIKeyCLHCXXPJROCMEN-UHFFFAOYSA-N
XLogP2.86
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Dipyridodiazepinone deriv. 36
CID 463556
Dipyridodiazepinone deriv. 37
CID 463557
2-Ethyl-5-fluoro-9-methyl-13-[(pyridin-4-yloxy)methyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470695
5-Chloro-2-ethyl-9-methyl-13-({[2-(trifluoromethyl)pyridin-4-yl]oxy}methyl)-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470698
4-({2-Ethyl-9-methyl-10-oxo-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-13-yl}methoxy)-1-oxidopyridin-1-ium
CID 470699
4-({2-Ethyl-5-fluoro-9-methyl-10-oxo-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-13-yl}methoxy)-1-oxidopyridin-1-ium
CID 470700
2-Ethyl-9-methyl-13-[(pyridin-4-yloxy)methyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470694
N,N-dimethyl-2-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10552132
2-((3-fluorobenzyl)oxy)-6-(5-fluoropyridin-2-yl)-7,8-dihydro-1,6-naphthyridin-5(6H)-one
CID 68008606
6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-N-(2-fluoro-4-methyl-3-pyridinyl)-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide
CID 154642333
1-(2,5-Dimethyl-3-furoyl)-4-(2-pyridinyl)piperazine
CID 1245848
(2,5-Dimethyl-3-furyl){4-[5-(trifluoromethyl)-2-pyridinyl]piperazino}methanone
CID 2811732

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-3-pyridinyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The IUPAC name of (2-ethoxy-3-pyridinyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (CID 4881950) is (2-ethoxy-3-pyridinyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-ethoxy-3-pyridinyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The canonical SMILES for (2-ethoxy-3-pyridinyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is CCOc1ncccc1C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of (2-ethoxy-3-pyridinyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The InChIKey is CLHCXXPJROCMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c1-2-27-16-14(4-3-7-22-16)17(26)25-10-8-24(9-11-25)15-6-5-13(12-23-15)18(19,20)21/h3-7,12H,2,8-11H2,1H3.
What are the key properties of (2-ethoxy-3-pyridinyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
(2-ethoxy-3-pyridinyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 380.37 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-3-pyridinyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 4881950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).