[5-(2-fluorophenyl)-3-pyridinyl]-(3-piperidin-4-ylpiperidin-1-yl)methanone

C22H26FN3O — CID 167945248

IUPAC[5-(2-fluorophenyl)-3-pyridinyl]-(3-piperidin-4-ylpiperidin-1-yl)methanone
SMILESO=C(c1cncc(-c2ccccc2F)c1)N1CCCC(C2CCNCC2)C1
InChIInChI=1S/C22H26FN3O/c23-21-6-2-1-5-20(21)18-12-19(14-25-13-18)22(27)26-11-3-4-17(15-26)16-7-9-24-10-8-16/h1-2,5-6,12-14,16-17,24H,3-4,7-11,15H2
InChIKeyBKPHYVURCOUHMH-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.74
Rot. Bonds3

About [5-(2-fluorophenyl)-3-pyridinyl]-(3-piperidin-4-ylpiperidin-1-yl)methanone

[5-(2-fluorophenyl)-3-pyridinyl]-(3-piperidin-4-ylpiperidin-1-yl)methanone (PubChem CID 167945248) has the molecular formula C22H26FN3O and a molecular weight of 367.47 g/mol. Its IUPAC name is [5-(2-fluorophenyl)-3-pyridinyl]-(3-piperidin-4-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(2-fluorophenyl)-3-pyridinyl]-(3-piperidin-4-ylpiperidin-1-yl)methanone
PubChem CID167945248
Molecular FormulaC22H26FN3O
Molecular Weight367.47 g/mol
Exact Mass367.21
IUPAC Name[5-(2-fluorophenyl)-3-pyridinyl]-(3-piperidin-4-ylpiperidin-1-yl)methanone
SMILESO=C(c1cncc(-c2ccccc2F)c1)N1CCCC(C2CCNCC2)C1
InChIInChI=1S/C22H26FN3O/c23-21-6-2-1-5-20(21)18-12-19(14-25-13-18)22(27)26-11-3-4-17(15-26)16-7-9-24-10-8-16/h1-2,5-6,12-14,16-17,24H,3-4,7-11,15H2
InChIKeyBKPHYVURCOUHMH-UHFFFAOYSA-N
XLogP3.74
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(3-pyrimidin-5-ylphenyl)methanone
CID 118781040
[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 102978428
(5-hydroxy-3-pyridinyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63851017
(5-fluoro-3-pyridinyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 113265528
[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 97051192
[3-(2-aminoethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone;dihydrochloride
CID 120727478
5-(3-pyrrolidin-3-ylpiperidine-1-carbonyl)-1H-pyridin-2-one
CID 167899187
[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119491506
[3-(3-fluorophenyl)phenyl]-(4-piperidin-4-ylpiperidin-1-yl)methanone
CID 146043610
(4-cyclopropylphenyl)-(3-pyrrolidin-3-ylpiperidin-1-yl)methanone
CID 154865644
[(3R)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(5-pyrimidin-5-yl-3-pyridinyl)methanone
CID 124992005
[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95818958

Frequently Asked Questions

What is the IUPAC name of [5-(2-fluorophenyl)-3-pyridinyl]-(3-piperidin-4-ylpiperidin-1-yl)methanone?
The IUPAC name of [5-(2-fluorophenyl)-3-pyridinyl]-(3-piperidin-4-ylpiperidin-1-yl)methanone (CID 167945248) is [5-(2-fluorophenyl)-3-pyridinyl]-(3-piperidin-4-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(2-fluorophenyl)-3-pyridinyl]-(3-piperidin-4-ylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(2-fluorophenyl)-3-pyridinyl]-(3-piperidin-4-ylpiperidin-1-yl)methanone is O=C(c1cncc(-c2ccccc2F)c1)N1CCCC(C2CCNCC2)C1.
What is the InChIKey of [5-(2-fluorophenyl)-3-pyridinyl]-(3-piperidin-4-ylpiperidin-1-yl)methanone?
The InChIKey is BKPHYVURCOUHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O/c23-21-6-2-1-5-20(21)18-12-19(14-25-13-18)22(27)26-11-3-4-17(15-26)16-7-9-24-10-8-16/h1-2,5-6,12-14,16-17,24H,3-4,7-11,15H2.
What are the key properties of [5-(2-fluorophenyl)-3-pyridinyl]-(3-piperidin-4-ylpiperidin-1-yl)methanone?
[5-(2-fluorophenyl)-3-pyridinyl]-(3-piperidin-4-ylpiperidin-1-yl)methanone has a molecular weight of 367.47 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluorophenyl)-3-pyridinyl]-(3-piperidin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 167945248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).