[2-(3-fluoroanilino)-3-pyridinyl]-(4-phenoxypiperidin-1-yl)methanone

C23H22FN3O2 — CID 86833930

IUPAC[2-(3-fluoroanilino)-3-pyridinyl]-(4-phenoxypiperidin-1-yl)methanone
SMILESO=C(c1cccnc1Nc1cccc(F)c1)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C23H22FN3O2/c24-17-6-4-7-18(16-17)26-22-21(10-5-13-25-22)23(28)27-14-11-20(12-15-27)29-19-8-2-1-3-9-19/h1-10,13,16,20H,11-12,14-15H2,(H,25,26)
InChIKeyZPVZZQPOXGVLTR-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.65
Rot. Bonds5

About [2-(3-fluoroanilino)-3-pyridinyl]-(4-phenoxypiperidin-1-yl)methanone

[2-(3-fluoroanilino)-3-pyridinyl]-(4-phenoxypiperidin-1-yl)methanone (PubChem CID 86833930) has the molecular formula C23H22FN3O2 and a molecular weight of 391.45 g/mol. Its IUPAC name is [2-(3-fluoroanilino)-3-pyridinyl]-(4-phenoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(3-fluoroanilino)-3-pyridinyl]-(4-phenoxypiperidin-1-yl)methanone
PubChem CID86833930
Molecular FormulaC23H22FN3O2
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC Name[2-(3-fluoroanilino)-3-pyridinyl]-(4-phenoxypiperidin-1-yl)methanone
SMILESO=C(c1cccnc1Nc1cccc(F)c1)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C23H22FN3O2/c24-17-6-4-7-18(16-17)26-22-21(10-5-13-25-22)23(28)27-14-11-20(12-15-27)29-19-8-2-1-3-9-19/h1-10,13,16,20H,11-12,14-15H2,(H,25,26)
InChIKeyZPVZZQPOXGVLTR-UHFFFAOYSA-N
XLogP4.65
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-aminopyrrolidin-1-yl]-[2-(3-fluoroanilino)-3-pyridinyl]methanone
CID 124698734
[2-(3-fluoroanilino)-3-pyridinyl]-[4-(3-fluorophenyl)piperazin-1-yl]methanone
CID 166362766
[2-(3-fluoroanilino)-3-pyridinyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 124575323
[2-(3-fluoroanilino)-3-pyridinyl]-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 125146750
[2-(3-fluoroanilino)-3-pyridinyl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 97077466
4-[2-(3-fluoroanilino)pyridine-3-carbonyl]-1-methylpiperazin-2-one
CID 75422007
[2-(3-fluoroanilino)-3-pyridinyl]-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 55955807
(4-ethoxypiperidin-1-yl)-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 55976721
[2-(3-fluoroanilino)-3-pyridinyl]-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone
CID 124594605
[4-(3-fluorophenoxy)piperidin-1-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone
CID 70771795
(2-anilino-3-pyridinyl)-morpholin-4-ylmethanone
CID 1440870
[4-(methylaminomethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone;hydrochloride
CID 119543139

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoroanilino)-3-pyridinyl]-(4-phenoxypiperidin-1-yl)methanone?
The IUPAC name of [2-(3-fluoroanilino)-3-pyridinyl]-(4-phenoxypiperidin-1-yl)methanone (CID 86833930) is [2-(3-fluoroanilino)-3-pyridinyl]-(4-phenoxypiperidin-1-yl)methanone.
What is the SMILES notation for [2-(3-fluoroanilino)-3-pyridinyl]-(4-phenoxypiperidin-1-yl)methanone?
The canonical SMILES for [2-(3-fluoroanilino)-3-pyridinyl]-(4-phenoxypiperidin-1-yl)methanone is O=C(c1cccnc1Nc1cccc(F)c1)N1CCC(Oc2ccccc2)CC1.
What is the InChIKey of [2-(3-fluoroanilino)-3-pyridinyl]-(4-phenoxypiperidin-1-yl)methanone?
The InChIKey is ZPVZZQPOXGVLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2/c24-17-6-4-7-18(16-17)26-22-21(10-5-13-25-22)23(28)27-14-11-20(12-15-27)29-19-8-2-1-3-9-19/h1-10,13,16,20H,11-12,14-15H2,(H,25,26).
What are the key properties of [2-(3-fluoroanilino)-3-pyridinyl]-(4-phenoxypiperidin-1-yl)methanone?
[2-(3-fluoroanilino)-3-pyridinyl]-(4-phenoxypiperidin-1-yl)methanone has a molecular weight of 391.45 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoroanilino)-3-pyridinyl]-(4-phenoxypiperidin-1-yl)methanone is sourced from PubChem (CID 86833930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).