[1-(5-benzyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone

C23H22FN3O2 — CID 166186060

IUPAC[1-(5-benzyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)C1CCCN(C(=O)c2cc(Cc3ccccc3)[nH]n2)C1
InChIInChI=1S/C23H22FN3O2/c24-19-10-8-17(9-11-19)22(28)18-7-4-12-27(15-18)23(29)21-14-20(25-26-21)13-16-5-2-1-3-6-16/h1-3,5-6,8-11,14,18H,4,7,12-13,15H2,(H,25,26)
InChIKeyCAXMBIFOTBDTHH-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.87
Rot. Bonds5

About [1-(5-benzyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone

[1-(5-benzyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone (PubChem CID 166186060) has the molecular formula C23H22FN3O2 and a molecular weight of 391.45 g/mol. Its IUPAC name is [1-(5-benzyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[1-(5-benzyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone
PubChem CID166186060
Molecular FormulaC23H22FN3O2
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC Name[1-(5-benzyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)C1CCCN(C(=O)c2cc(Cc3ccccc3)[nH]n2)C1
InChIInChI=1S/C23H22FN3O2/c24-19-10-8-17(9-11-19)22(28)18-7-4-12-27(15-18)23(29)21-14-20(25-26-21)13-16-5-2-1-3-6-16/h1-3,5-6,8-11,14,18H,4,7,12-13,15H2,(H,25,26)
InChIKeyCAXMBIFOTBDTHH-UHFFFAOYSA-N
XLogP3.87
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluorophenyl)-[(3R)-1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]methanone
CID 95773916
azepan-1-yl-(5-benzyl-1H-pyrazol-3-yl)methanone
CID 169082729
[(3S)-1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone
CID 16671792
(3S)-1-(5-ethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 119173853
(4-benzylpiperazin-1-yl)-[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]methanone
CID 25297530
(4-fluorophenyl)-[1-(3-methylbenzoyl)piperidin-3-yl]methanone
CID 110394780
2-amino-1-[3-(4-fluorobenzoyl)piperidin-1-yl]ethanone
CID 119332026
[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]-(4-fluorophenyl)methanone
CID 119798418
cyclohexyl-[(3S)-3-(4-fluorobenzoyl)piperidin-1-yl]methanone
CID 69455656
(4-fluorophenyl)-[1-(2-hydroxycyclopentanecarbonyl)piperidin-3-yl]methanone
CID 110014714
[(3S)-1-(1-benzothiophene-2-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone
CID 69453906
(5-butyl-1H-pyrazol-3-yl)-[(3S)-3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 124978633

Frequently Asked Questions

What is the IUPAC name of [1-(5-benzyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [1-(5-benzyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone (CID 166186060) is [1-(5-benzyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [1-(5-benzyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [1-(5-benzyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)C1CCCN(C(=O)c2cc(Cc3ccccc3)[nH]n2)C1.
What is the InChIKey of [1-(5-benzyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone?
The InChIKey is CAXMBIFOTBDTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2/c24-19-10-8-17(9-11-19)22(28)18-7-4-12-27(15-18)23(29)21-14-20(25-26-21)13-16-5-2-1-3-6-16/h1-3,5-6,8-11,14,18H,4,7,12-13,15H2,(H,25,26).
What are the key properties of [1-(5-benzyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone?
[1-(5-benzyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone has a molecular weight of 391.45 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-benzyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 166186060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).