[2-(3-fluorophenyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone

C16H18FN3O — CID 70739283

IUPAC[2-(3-fluorophenyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CCCCC2c2cccc(F)c2)cn1
InChIInChI=1S/C16H18FN3O/c1-19-11-13(10-18-19)16(21)20-8-3-2-7-15(20)12-5-4-6-14(17)9-12/h4-6,9-11,15H,2-3,7-8H2,1H3
InChIKeyAHKNYNKHIKDPTP-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.93
Rot. Bonds2

About [2-(3-fluorophenyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone

[2-(3-fluorophenyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 70739283) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is [2-(3-fluorophenyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(3-fluorophenyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID70739283
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name[2-(3-fluorophenyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CCCCC2c2cccc(F)c2)cn1
InChIInChI=1S/C16H18FN3O/c1-19-11-13(10-18-19)16(21)20-8-3-2-7-15(20)12-5-4-6-14(17)9-12/h4-6,9-11,15H,2-3,7-8H2,1H3
InChIKeyAHKNYNKHIKDPTP-UHFFFAOYSA-N
XLogP2.93
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 129428018
[(2R)-2-(3-fluorophenyl)piperidin-1-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
CID 96572952
[2-(ethylamino)pyrimidin-5-yl]-[(2R)-2-(3-fluorophenyl)azepan-1-yl]methanone
CID 97120165
2-(3-fluorophenyl)piperidine-1-carboxamide
CID 141445896
(1,2-dimethylpyrrol-3-yl)-[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methanone
CID 125158443
[2-(4-chlorophenyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 42953217
[(2R)-2-[8-[(3-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 92622098
[2-(3-fluorophenyl)azepan-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 70733375
5-[2-(3-fluorophenyl)azepane-1-carbonyl]-1-methylpyrimidine-2,4-dione
CID 91793434
[2-(3-fluorophenyl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone
CID 70761274
6-[2-(3-fluorophenyl)azepane-1-carbonyl]-1H-pyridin-2-one
CID 91791269
[2-(3-fluorophenyl)azepan-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone
CID 91838120

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [2-(3-fluorophenyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone (CID 70739283) is [2-(3-fluorophenyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [2-(3-fluorophenyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [2-(3-fluorophenyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone is Cn1cc(C(=O)N2CCCCC2c2cccc(F)c2)cn1.
What is the InChIKey of [2-(3-fluorophenyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is AHKNYNKHIKDPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-19-11-13(10-18-19)16(21)20-8-3-2-7-15(20)12-5-4-6-14(17)9-12/h4-6,9-11,15H,2-3,7-8H2,1H3.
What are the key properties of [2-(3-fluorophenyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
[2-(3-fluorophenyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 287.34 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 70739283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).