[4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone

C22H22FN3O2 — CID 53149284

IUPAC[4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCC(c2cnn(-c3ccc(F)cc3)c2)CC1
InChIInChI=1S/C22H22FN3O2/c1-28-21-5-3-2-4-20(21)22(27)25-12-10-16(11-13-25)17-14-24-26(15-17)19-8-6-18(23)7-9-19/h2-9,14-16H,10-13H2,1H3
InChIKeyMXWOMGAQYYUTHL-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.04
Rot. Bonds4

About [4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone

[4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone (PubChem CID 53149284) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is [4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone
PubChem CID53149284
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name[4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCC(c2cnn(-c3ccc(F)cc3)c2)CC1
InChIInChI=1S/C22H22FN3O2/c1-28-21-5-3-2-4-20(21)22(27)25-12-10-16(11-13-25)17-14-24-26(15-17)19-8-6-18(23)7-9-19/h2-9,14-16H,10-13H2,1H3
InChIKeyMXWOMGAQYYUTHL-UHFFFAOYSA-N
XLogP4.04
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone (CID 53149284) is [4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)N1CCC(c2cnn(-c3ccc(F)cc3)c2)CC1.
What is the InChIKey of [4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone?
The InChIKey is MXWOMGAQYYUTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-28-21-5-3-2-4-20(21)22(27)25-12-10-16(11-13-25)17-14-24-26(15-17)19-8-6-18(23)7-9-19/h2-9,14-16H,10-13H2,1H3.
What are the key properties of [4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone?
[4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone has a molecular weight of 379.44 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 53149284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).