[2-(3-fluorophenyl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone

C18H22FN3O — CID 70761274

IUPAC[2-(3-fluorophenyl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone
SMILESCCCc1[nH]ncc1C(=O)N1CCCCC1c1cccc(F)c1
InChIInChI=1S/C18H22FN3O/c1-2-6-16-15(12-20-21-16)18(23)22-10-4-3-9-17(22)13-7-5-8-14(19)11-13/h5,7-8,11-12,17H,2-4,6,9-10H2,1H3,(H,20,21)
InChIKeyRYHSIMBUQDYPLE-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.87
Rot. Bonds4

About [2-(3-fluorophenyl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone

[2-(3-fluorophenyl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone (PubChem CID 70761274) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is [2-(3-fluorophenyl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(3-fluorophenyl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone
PubChem CID70761274
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name[2-(3-fluorophenyl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone
SMILESCCCc1[nH]ncc1C(=O)N1CCCCC1c1cccc(F)c1
InChIInChI=1S/C18H22FN3O/c1-2-6-16-15(12-20-21-16)18(23)22-10-4-3-9-17(22)13-7-5-8-14(19)11-13/h5,7-8,11-12,17H,2-4,6,9-10H2,1H3,(H,20,21)
InChIKeyRYHSIMBUQDYPLE-UHFFFAOYSA-N
XLogP3.87
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1,2-dimethylpyrrol-3-yl)-[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methanone
CID 125158443
[2-(ethylamino)pyrimidin-5-yl]-[(2R)-2-(3-fluorophenyl)azepan-1-yl]methanone
CID 97120165
[2-(3-fluorophenyl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 70712664
[2-(3-fluorophenyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 70739283
(2-fluorophenyl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747079
[2-(3-fluorophenyl)azepan-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 70733375
(1-ethylpyrazol-3-yl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747092
5-[2-(3-fluorophenyl)azepane-1-carbonyl]-1-methylpyrimidine-2,4-dione
CID 91793434
2-(3-fluorophenyl)piperidine-1-carboxamide
CID 141445896
[(2R)-2-(3-fluorophenyl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
CID 124751149
[2-(3-fluorophenyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-5-yl)methanone
CID 120735469
[2-(3-fluorophenyl)azepan-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone
CID 165422421

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone?
The IUPAC name of [2-(3-fluorophenyl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone (CID 70761274) is [2-(3-fluorophenyl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [2-(3-fluorophenyl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone?
The canonical SMILES for [2-(3-fluorophenyl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone is CCCc1[nH]ncc1C(=O)N1CCCCC1c1cccc(F)c1.
What is the InChIKey of [2-(3-fluorophenyl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone?
The InChIKey is RYHSIMBUQDYPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-2-6-16-15(12-20-21-16)18(23)22-10-4-3-9-17(22)13-7-5-8-14(19)11-13/h5,7-8,11-12,17H,2-4,6,9-10H2,1H3,(H,20,21).
What are the key properties of [2-(3-fluorophenyl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone?
[2-(3-fluorophenyl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone has a molecular weight of 315.39 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 70761274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).