[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methanone

C17H23F3N4O2 — CID 154740610

IUPAC[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methanone
SMILESCCOc1cccc(N2CCN(C(=O)C3CN(CC(F)(F)F)C3)CC2)n1
InChIInChI=1S/C17H23F3N4O2/c1-2-26-15-5-3-4-14(21-15)23-6-8-24(9-7-23)16(25)13-10-22(11-13)12-17(18,19)20/h3-5,13H,2,6-12H2,1H3
InChIKeyUGHYUWRIEATYTF-UHFFFAOYSA-N
MW372.39 g/mol
LogP1.62
Rot. Bonds5

About [4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methanone

[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methanone (PubChem CID 154740610) has the molecular formula C17H23F3N4O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is [4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methanone.

Molecular Properties

Compound Name[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methanone
PubChem CID154740610
Molecular FormulaC17H23F3N4O2
Molecular Weight372.39 g/mol
Exact Mass372.18
IUPAC Name[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methanone
SMILESCCOc1cccc(N2CCN(C(=O)C3CN(CC(F)(F)F)C3)CC2)n1
InChIInChI=1S/C17H23F3N4O2/c1-2-26-15-5-3-4-14(21-15)23-6-8-24(9-7-23)16(25)13-10-22(11-13)12-17(18,19)20/h3-5,13H,2,6-12H2,1H3
InChIKeyUGHYUWRIEATYTF-UHFFFAOYSA-N
XLogP1.62
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methanone with MolForge

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Related Compounds

[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone
CID 86905423
2-chloro-1-[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]propan-1-one
CID 146085937
1-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]ethanone
CID 63845323
[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone
CID 154738087
3-[[4-(6-ethoxy-2-pyridinyl)piperazine-1-carbonyl]amino]propanoic acid
CID 122018993
[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]methanol
CID 55212590
cyclopropyl-[4-(6-ethoxypyrazin-2-yl)-1,4-diazepan-1-yl]methanone
CID 133499195
[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanone
CID 136583909
4-[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide
CID 133470597
4-(6-ethoxy-2-pyridinyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 136524178
2-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]ethanamine
CID 63586487
2-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)pyridine
CID 150915079

Frequently Asked Questions

What is the IUPAC name of [4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methanone?
The IUPAC name of [4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methanone (CID 154740610) is [4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methanone.
What is the SMILES notation for [4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methanone?
The canonical SMILES for [4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methanone is CCOc1cccc(N2CCN(C(=O)C3CN(CC(F)(F)F)C3)CC2)n1.
What is the InChIKey of [4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methanone?
The InChIKey is UGHYUWRIEATYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N4O2/c1-2-26-15-5-3-4-14(21-15)23-6-8-24(9-7-23)16(25)13-10-22(11-13)12-17(18,19)20/h3-5,13H,2,6-12H2,1H3.
What are the key properties of [4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methanone?
[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methanone has a molecular weight of 372.39 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methanone is sourced from PubChem (CID 154740610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).