[3-(4-fluoroanilino)piperidin-1-yl]-(3-prop-2-enoxyphenyl)methanone

C21H23FN2O2 — CID 24817113

IUPAC[3-(4-fluoroanilino)piperidin-1-yl]-(3-prop-2-enoxyphenyl)methanone
SMILESC=CCOc1cccc(C(=O)N2CCCC(Nc3ccc(F)cc3)C2)c1
InChIInChI=1S/C21H23FN2O2/c1-2-13-26-20-7-3-5-16(14-20)21(25)24-12-4-6-19(15-24)23-18-10-8-17(22)9-11-18/h2-3,5,7-11,14,19,23H,1,4,6,12-13,15H2
InChIKeyGMJDMSYMEHZDAI-UHFFFAOYSA-N
MW354.43 g/mol
LogP4.11
Rot. Bonds6

About [3-(4-fluoroanilino)piperidin-1-yl]-(3-prop-2-enoxyphenyl)methanone

[3-(4-fluoroanilino)piperidin-1-yl]-(3-prop-2-enoxyphenyl)methanone (PubChem CID 24817113) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is [3-(4-fluoroanilino)piperidin-1-yl]-(3-prop-2-enoxyphenyl)methanone.

Molecular Properties

Compound Name[3-(4-fluoroanilino)piperidin-1-yl]-(3-prop-2-enoxyphenyl)methanone
PubChem CID24817113
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC Name[3-(4-fluoroanilino)piperidin-1-yl]-(3-prop-2-enoxyphenyl)methanone
SMILESC=CCOc1cccc(C(=O)N2CCCC(Nc3ccc(F)cc3)C2)c1
InChIInChI=1S/C21H23FN2O2/c1-2-13-26-20-7-3-5-16(14-20)21(25)24-12-4-6-19(15-24)23-18-10-8-17(22)9-11-18/h2-3,5,7-11,14,19,23H,1,4,6,12-13,15H2
InChIKeyGMJDMSYMEHZDAI-UHFFFAOYSA-N
XLogP4.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-phenylmethanone
CID 25449307
[(3S)-3-(3,4-dimethoxyanilino)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 42461601
1-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-2-phenoxyethanone
CID 42147628
[4-(4-fluoroanilino)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 3488973
[(3R)-3-(4-fluoroanilino)piperidin-1-yl]-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanone
CID 42522581
(4-methylpiperidin-1-yl)-(3-prop-2-enoxyphenyl)methanone
CID 2993266
(3-prop-2-enoxyphenyl)-(4-propyl-1,4-diazepan-1-yl)methanone
CID 131950145
2-amino-1-[3-(4-fluoroanilino)piperidin-1-yl]ethanone
CID 56883388
(2,6-dimethylmorpholin-4-yl)-(3-prop-2-enoxyphenyl)methanone
CID 2993576
[(3S)-3-(3,4-difluoroanilino)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 26398252
1-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-2-methylsulfanylethanone
CID 42415603
N-[4-[(3R)-3-(3-fluoroanilino)piperidine-1-carbonyl]phenyl]acetamide
CID 25380229

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluoroanilino)piperidin-1-yl]-(3-prop-2-enoxyphenyl)methanone?
The IUPAC name of [3-(4-fluoroanilino)piperidin-1-yl]-(3-prop-2-enoxyphenyl)methanone (CID 24817113) is [3-(4-fluoroanilino)piperidin-1-yl]-(3-prop-2-enoxyphenyl)methanone.
What is the SMILES notation for [3-(4-fluoroanilino)piperidin-1-yl]-(3-prop-2-enoxyphenyl)methanone?
The canonical SMILES for [3-(4-fluoroanilino)piperidin-1-yl]-(3-prop-2-enoxyphenyl)methanone is C=CCOc1cccc(C(=O)N2CCCC(Nc3ccc(F)cc3)C2)c1.
What is the InChIKey of [3-(4-fluoroanilino)piperidin-1-yl]-(3-prop-2-enoxyphenyl)methanone?
The InChIKey is GMJDMSYMEHZDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2/c1-2-13-26-20-7-3-5-16(14-20)21(25)24-12-4-6-19(15-24)23-18-10-8-17(22)9-11-18/h2-3,5,7-11,14,19,23H,1,4,6,12-13,15H2.
What are the key properties of [3-(4-fluoroanilino)piperidin-1-yl]-(3-prop-2-enoxyphenyl)methanone?
[3-(4-fluoroanilino)piperidin-1-yl]-(3-prop-2-enoxyphenyl)methanone has a molecular weight of 354.43 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluoroanilino)piperidin-1-yl]-(3-prop-2-enoxyphenyl)methanone is sourced from PubChem (CID 24817113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).