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

C19H24FN3O2 — CID 50846942

IUPAC(1-ethylpyrazol-3-yl)-[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]methanone
SMILESCCn1ccc(C(=O)N2CCC(CCOc3ccccc3F)CC2)n1
InChIInChI=1S/C19H24FN3O2/c1-2-23-13-9-17(21-23)19(24)22-11-7-15(8-12-22)10-14-25-18-6-4-3-5-16(18)20/h3-6,9,13,15H,2,7-8,10-12,14H2,1H3
InChIKeyINIJXHGGHBLBSC-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.36
Rot. Bonds6

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

(1-ethylpyrazol-3-yl)-[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]methanone (PubChem CID 50846942) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is (1-ethylpyrazol-3-yl)-[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-3-yl)-[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]methanone
PubChem CID50846942
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name(1-ethylpyrazol-3-yl)-[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]methanone
SMILESCCn1ccc(C(=O)N2CCC(CCOc3ccccc3F)CC2)n1
InChIInChI=1S/C19H24FN3O2/c1-2-23-13-9-17(21-23)19(24)22-11-7-15(8-12-22)10-14-25-18-6-4-3-5-16(18)20/h3-6,9,13,15H,2,7-8,10-12,14H2,1H3
InChIKeyINIJXHGGHBLBSC-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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Related Compounds

1-[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]ethanone
CID 53150747
[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 50846846
(1-ethylpyrazol-3-yl)-[3-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 110256639
cyclohexyl-[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]methanone
CID 53037979
[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]-(oxolan-3-yl)methanone
CID 50846781
2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-N-(1-phenylethyl)acetamide
CID 110246315
(1-ethylpyrazol-3-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride
CID 163333524
(1-ethylpyrazol-3-yl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 70744049
(1-ethylpyrazol-3-yl)-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methanone
CID 166619910
(1-ethylpyrazol-3-yl)-[4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95823174
(1-ethylpyrazol-3-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19279210
1-ethyl-N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N-methylpyrazole-3-carboxamide
CID 53151094

Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-3-yl)-[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]methanone?
The IUPAC name of (1-ethylpyrazol-3-yl)-[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]methanone (CID 50846942) is (1-ethylpyrazol-3-yl)-[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-ethylpyrazol-3-yl)-[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for (1-ethylpyrazol-3-yl)-[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]methanone is CCn1ccc(C(=O)N2CCC(CCOc3ccccc3F)CC2)n1.
What is the InChIKey of (1-ethylpyrazol-3-yl)-[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]methanone?
The InChIKey is INIJXHGGHBLBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-2-23-13-9-17(21-23)19(24)22-11-7-15(8-12-22)10-14-25-18-6-4-3-5-16(18)20/h3-6,9,13,15H,2,7-8,10-12,14H2,1H3.
What are the key properties of (1-ethylpyrazol-3-yl)-[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]methanone?
(1-ethylpyrazol-3-yl)-[4-[2-(2-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-(2-fluorophenoxy)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 50846942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).