2-(3-fluorophenyl)-1-[4-(1-phenylpyrazol-4-yl)piperidin-1-yl]ethanone

C22H22FN3O — CID 53149268

IUPAC2-(3-fluorophenyl)-1-[4-(1-phenylpyrazol-4-yl)piperidin-1-yl]ethanone
SMILESO=C(Cc1cccc(F)c1)N1CCC(c2cnn(-c3ccccc3)c2)CC1
InChIInChI=1S/C22H22FN3O/c23-20-6-4-5-17(13-20)14-22(27)25-11-9-18(10-12-25)19-15-24-26(16-19)21-7-2-1-3-8-21/h1-8,13,15-16,18H,9-12,14H2
InChIKeyDEIMCIBYZQHVJA-UHFFFAOYSA-N
MW363.44 g/mol
LogP3.96
Rot. Bonds4

About 2-(3-fluorophenyl)-1-[4-(1-phenylpyrazol-4-yl)piperidin-1-yl]ethanone

2-(3-fluorophenyl)-1-[4-(1-phenylpyrazol-4-yl)piperidin-1-yl]ethanone (PubChem CID 53149268) has the molecular formula C22H22FN3O and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[4-(1-phenylpyrazol-4-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[4-(1-phenylpyrazol-4-yl)piperidin-1-yl]ethanone
PubChem CID53149268
Molecular FormulaC22H22FN3O
Molecular Weight363.44 g/mol
Exact Mass363.17
IUPAC Name2-(3-fluorophenyl)-1-[4-(1-phenylpyrazol-4-yl)piperidin-1-yl]ethanone
SMILESO=C(Cc1cccc(F)c1)N1CCC(c2cnn(-c3ccccc3)c2)CC1
InChIInChI=1S/C22H22FN3O/c23-20-6-4-5-17(13-20)14-22(27)25-11-9-18(10-12-25)19-15-24-26(16-19)21-7-2-1-3-8-21/h1-8,13,15-16,18H,9-12,14H2
InChIKeyDEIMCIBYZQHVJA-UHFFFAOYSA-N
XLogP3.96
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]ethanone
CID 71842289
1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 71842280
[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-phenylmethanone
CID 53149302
N-benzyl-1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxamide
CID 113003928
2-(3-fluorophenyl)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 53032675
2-(3-fluorophenyl)-1-(4-pyrimidin-4-ylpiperidin-1-yl)ethanone
CID 118775431
4-[1-[2-(3-fluorophenyl)acetyl]piperidine-4-carbonyl]piperazine-1-carbaldehyde
CID 113003789
2-(1-phenylpyrazol-4-yl)-1-piperazin-1-ylethanone
CID 119400257
N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 49349287
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 63596909
1-(4-benzylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone
CID 16620987
1-[4-(1-bromoethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 106839289

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[4-(1-phenylpyrazol-4-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[4-(1-phenylpyrazol-4-yl)piperidin-1-yl]ethanone (CID 53149268) is 2-(3-fluorophenyl)-1-[4-(1-phenylpyrazol-4-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[4-(1-phenylpyrazol-4-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[4-(1-phenylpyrazol-4-yl)piperidin-1-yl]ethanone is O=C(Cc1cccc(F)c1)N1CCC(c2cnn(-c3ccccc3)c2)CC1.
What is the InChIKey of 2-(3-fluorophenyl)-1-[4-(1-phenylpyrazol-4-yl)piperidin-1-yl]ethanone?
The InChIKey is DEIMCIBYZQHVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O/c23-20-6-4-5-17(13-20)14-22(27)25-11-9-18(10-12-25)19-15-24-26(16-19)21-7-2-1-3-8-21/h1-8,13,15-16,18H,9-12,14H2.
What are the key properties of 2-(3-fluorophenyl)-1-[4-(1-phenylpyrazol-4-yl)piperidin-1-yl]ethanone?
2-(3-fluorophenyl)-1-[4-(1-phenylpyrazol-4-yl)piperidin-1-yl]ethanone has a molecular weight of 363.44 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[4-(1-phenylpyrazol-4-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 53149268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).