(1-ethylpyrazol-3-yl)-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone

C19H24FN3O2 — CID 50847142

IUPAC(1-ethylpyrazol-3-yl)-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone
SMILESCCn1ccc(C(=O)N2CCC(CCOc3cccc(F)c3)CC2)n1
InChIInChI=1S/C19H24FN3O2/c1-2-23-12-8-18(21-23)19(24)22-10-6-15(7-11-22)9-13-25-17-5-3-4-16(20)14-17/h3-5,8,12,14-15H,2,6-7,9-11,13H2,1H3
InChIKeyGYUXFMSCAVLLJN-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.36
Rot. Bonds6

About (1-ethylpyrazol-3-yl)-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone

(1-ethylpyrazol-3-yl)-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone (PubChem CID 50847142) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is (1-ethylpyrazol-3-yl)-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-3-yl)-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone
PubChem CID50847142
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name(1-ethylpyrazol-3-yl)-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone
SMILESCCn1ccc(C(=O)N2CCC(CCOc3cccc(F)c3)CC2)n1
InChIInChI=1S/C19H24FN3O2/c1-2-23-12-8-18(21-23)19(24)22-10-6-15(7-11-22)9-13-25-17-5-3-4-16(20)14-17/h3-5,8,12,14-15H,2,6-7,9-11,13H2,1H3
InChIKeyGYUXFMSCAVLLJN-UHFFFAOYSA-N
XLogP3.36
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-3-yl)-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone?
The IUPAC name of (1-ethylpyrazol-3-yl)-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone (CID 50847142) is (1-ethylpyrazol-3-yl)-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-ethylpyrazol-3-yl)-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for (1-ethylpyrazol-3-yl)-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone is CCn1ccc(C(=O)N2CCC(CCOc3cccc(F)c3)CC2)n1.
What is the InChIKey of (1-ethylpyrazol-3-yl)-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone?
The InChIKey is GYUXFMSCAVLLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-2-23-12-8-18(21-23)19(24)22-10-6-15(7-11-22)9-13-25-17-5-3-4-16(20)14-17/h3-5,8,12,14-15H,2,6-7,9-11,13H2,1H3.
What are the key properties of (1-ethylpyrazol-3-yl)-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone?
(1-ethylpyrazol-3-yl)-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone has a molecular weight of 345.42 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-3-yl)-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 50847142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).