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

C18H22FN3O — CID 56863423

IUPAC[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CCCC(CCc3ccc(F)cc3)C2)cn1
InChIInChI=1S/C18H22FN3O/c1-21-13-16(11-20-21)18(23)22-10-2-3-15(12-22)5-4-14-6-8-17(19)9-7-14/h6-9,11,13,15H,2-5,10,12H2,1H3
InChIKeyKZGDKAAKVLSCNJ-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.04
Rot. Bonds4

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

[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 56863423) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID56863423
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CCCC(CCc3ccc(F)cc3)C2)cn1
InChIInChI=1S/C18H22FN3O/c1-21-13-16(11-20-21)18(23)22-10-2-3-15(12-22)5-4-14-6-8-17(19)9-7-14/h6-9,11,13,15H,2-5,10,12H2,1H3
InChIKeyKZGDKAAKVLSCNJ-UHFFFAOYSA-N
XLogP3.04
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorobenzyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 1502164
[1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-N,N-diethylcarboxamide
CID 2471334
1-ethyl-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide
CID 1225887
1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-(pyrrolidin-1-ylcarbonyl)piperidine
CID 16189902
{1-[(1-ethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}(2-fluorobiphenyl-4-yl)methanone
CID 16190479
N-ethyl-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[2-(1H-pyrazol-1-yl)ethyl]-3-piperidinecarboxamide
CID 24816994
1-[(2-fluorophenyl)methyl]-6-oxo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 24819201
[1-[(1-Ethyl-4-pyrazolyl)methyl]-3-piperidinyl]-[3-(trifluoromethyl)phenyl]methanone
CID 44629407
3-[2-(2,4-difluorophenyl)ethyl]-1-[(1-methyl-1H-pyrazol-4-yl)methyl]piperidine
CID 45227951
N-(2-(4-((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl)piperazin-1-yl)-2-cyclohexylethyl)-N,1-diisopropyl-1H-pyrazole-4-carboxamide
CID 49862377
[1-[(1-Propylpyrazol-4-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 57399514
N-[(2,6-difluorophenyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 168290075

Frequently Asked Questions

What is the IUPAC name of [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone (CID 56863423) is [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone is Cn1cc(C(=O)N2CCCC(CCc3ccc(F)cc3)C2)cn1.
What is the InChIKey of [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is KZGDKAAKVLSCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-21-13-16(11-20-21)18(23)22-10-2-3-15(12-22)5-4-14-6-8-17(19)9-7-14/h6-9,11,13,15H,2-5,10,12H2,1H3.
What are the key properties of [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 315.39 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 56863423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).