(4-fluorophenyl)-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone

C16H18FN3O — CID 110106358

IUPAC(4-fluorophenyl)-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCCC(Cc2ccn[nH]2)C1
InChIInChI=1S/C16H18FN3O/c17-14-5-3-13(4-6-14)16(21)20-9-1-2-12(11-20)10-15-7-8-18-19-15/h3-8,12H,1-2,9-11H2,(H,18,19)
InChIKeyNVJGRNOHUWTICF-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.64
Rot. Bonds3

About (4-fluorophenyl)-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone

(4-fluorophenyl)-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone (PubChem CID 110106358) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is (4-fluorophenyl)-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
PubChem CID110106358
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name(4-fluorophenyl)-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCCC(Cc2ccn[nH]2)C1
InChIInChI=1S/C16H18FN3O/c17-14-5-3-13(4-6-14)16(21)20-9-1-2-12(11-20)10-15-7-8-18-19-15/h3-8,12H,1-2,9-11H2,(H,18,19)
InChIKeyNVJGRNOHUWTICF-UHFFFAOYSA-N
XLogP2.64
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2H-benzotriazol-5-yl-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 124940852
2-cyclopropyl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 125024753
[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 124996183
3H-benzimidazol-5-yl-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 110106421
(2,3-dimethyl-1H-indol-5-yl)-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 110106506
(2-methylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 125001802
2-(3-fluorophenyl)-1-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 124979428
(3-ethylpiperidin-1-yl)-(4-fluorophenyl)methanone
CID 23552313
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 124998266
5-[3-(1H-pyrazol-5-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 110106403
[4-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 110148862
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 125025980

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone (CID 110106358) is (4-fluorophenyl)-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone is O=C(c1ccc(F)cc1)N1CCCC(Cc2ccn[nH]2)C1.
What is the InChIKey of (4-fluorophenyl)-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is NVJGRNOHUWTICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c17-14-5-3-13(4-6-14)16(21)20-9-1-2-12(11-20)10-15-7-8-18-19-15/h3-8,12H,1-2,9-11H2,(H,18,19).
What are the key properties of (4-fluorophenyl)-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone?
(4-fluorophenyl)-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 287.34 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 110106358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).