[(2R)-2-(3-fluorophenyl)piperidin-1-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone

C20H24FN3O — CID 96572952

IUPAC[(2R)-2-(3-fluorophenyl)piperidin-1-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
SMILESCn1nc(C(=O)N2CCCC[C@@H]2c2cccc(F)c2)c2c1CCCC2
InChIInChI=1S/C20H24FN3O/c1-23-18-11-3-2-9-16(18)19(22-23)20(25)24-12-5-4-10-17(24)14-7-6-8-15(21)13-14/h6-8,13,17H,2-5,9-12H2,1H3/t17-/m1/s1
InChIKeyPXVDWXJHTPDBJS-QGZVFWFLSA-N
MW341.43 g/mol
LogP3.81
Rot. Bonds2

About [(2R)-2-(3-fluorophenyl)piperidin-1-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone

[(2R)-2-(3-fluorophenyl)piperidin-1-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone (PubChem CID 96572952) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is [(2R)-2-(3-fluorophenyl)piperidin-1-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(3-fluorophenyl)piperidin-1-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
PubChem CID96572952
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name[(2R)-2-(3-fluorophenyl)piperidin-1-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
SMILESCn1nc(C(=O)N2CCCC[C@@H]2c2cccc(F)c2)c2c1CCCC2
InChIInChI=1S/C20H24FN3O/c1-23-18-11-3-2-9-16(18)19(22-23)20(25)24-12-5-4-10-17(24)14-7-6-8-15(21)13-14/h6-8,13,17H,2-5,9-12H2,1H3/t17-/m1/s1
InChIKeyPXVDWXJHTPDBJS-QGZVFWFLSA-N
XLogP3.81
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-fluorophenyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 70739283
[2-(3-fluorophenyl)azepan-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone
CID 165422421
2-(3-fluorophenyl)piperidine-1-carboxamide
CID 141445896
(1,2-dimethylpyrrol-3-yl)-[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methanone
CID 125158443
6-[2-(3-fluorophenyl)azepane-1-carbonyl]-1H-pyridin-2-one
CID 91791269
[2-(ethylamino)pyrimidin-5-yl]-[(2R)-2-(3-fluorophenyl)azepan-1-yl]methanone
CID 97120165
[2-(3-fluorophenyl)azepan-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 70733375
[2-(3-fluorophenyl)azepan-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone
CID 91838120
(1-ethylpyrazol-3-yl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747092
(2-fluorophenyl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747079
5-[2-(3-fluorophenyl)azepane-1-carbonyl]-1-methylpyrimidine-2,4-dione
CID 91793434
(2-chloro-6-fluorophenyl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747030

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(3-fluorophenyl)piperidin-1-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone?
The IUPAC name of [(2R)-2-(3-fluorophenyl)piperidin-1-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone (CID 96572952) is [(2R)-2-(3-fluorophenyl)piperidin-1-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone.
What is the SMILES notation for [(2R)-2-(3-fluorophenyl)piperidin-1-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone?
The canonical SMILES for [(2R)-2-(3-fluorophenyl)piperidin-1-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone is Cn1nc(C(=O)N2CCCC[C@@H]2c2cccc(F)c2)c2c1CCCC2.
What is the InChIKey of [(2R)-2-(3-fluorophenyl)piperidin-1-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone?
The InChIKey is PXVDWXJHTPDBJS-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H24FN3O/c1-23-18-11-3-2-9-16(18)19(22-23)20(25)24-12-5-4-10-17(24)14-7-6-8-15(21)13-14/h6-8,13,17H,2-5,9-12H2,1H3/t17-/m1/s1.
What are the key properties of [(2R)-2-(3-fluorophenyl)piperidin-1-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone?
[(2R)-2-(3-fluorophenyl)piperidin-1-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone has a molecular weight of 341.43 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(3-fluorophenyl)piperidin-1-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone is sourced from PubChem (CID 96572952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).