(E)-3-(2-fluorophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]prop-2-enamide

C20H20FN3O2 — CID 108924924

IUPAC(E)-3-(2-fluorophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1F)NC1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C20H20FN3O2/c21-18-6-2-1-4-15(18)7-8-19(25)23-17-9-12-24(13-10-17)20(26)16-5-3-11-22-14-16/h1-8,11,14,17H,9-10,12-13H2,(H,23,25)/b8-7+
InChIKeyXRCMLTBPQJZPOX-BQYQJAHWSA-N
MW353.40 g/mol
LogP2.65
Rot. Bonds4

About (E)-3-(2-fluorophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]prop-2-enamide

(E)-3-(2-fluorophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]prop-2-enamide (PubChem CID 108924924) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is (E)-3-(2-fluorophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-fluorophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]prop-2-enamide
PubChem CID108924924
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name(E)-3-(2-fluorophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1F)NC1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C20H20FN3O2/c21-18-6-2-1-4-15(18)7-8-19(25)23-17-9-12-24(13-10-17)20(26)16-5-3-11-22-14-16/h1-8,11,14,17H,9-10,12-13H2,(H,23,25)/b8-7+
InChIKeyXRCMLTBPQJZPOX-BQYQJAHWSA-N
XLogP2.65
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-chlorophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]prop-2-enamide
CID 108924939
(E)-3-(2-fluorophenyl)-1-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]prop-2-en-1-one
CID 108924503
2,2-diphenyl-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108549584
2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108563315
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]propanamide
CID 108563311
1-tert-butyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea
CID 110821121
2-(2-bromophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108924891
[3-[(4-fluoro-1-methylbenzimidazol-2-yl)amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 154798378
2-(1,3-dioxoisoindol-2-yl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108551944
1-(2,2-dimethylpropyl)-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea
CID 110821123
2,6-dimethoxy-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]benzamide
CID 108549740

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-fluorophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]prop-2-enamide?
The IUPAC name of (E)-3-(2-fluorophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]prop-2-enamide (CID 108924924) is (E)-3-(2-fluorophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-fluorophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-fluorophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]prop-2-enamide is O=C(/C=C/c1ccccc1F)NC1CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of (E)-3-(2-fluorophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]prop-2-enamide?
The InChIKey is XRCMLTBPQJZPOX-BQYQJAHWSA-N. The full InChI is InChI=1S/C20H20FN3O2/c21-18-6-2-1-4-15(18)7-8-19(25)23-17-9-12-24(13-10-17)20(26)16-5-3-11-22-14-16/h1-8,11,14,17H,9-10,12-13H2,(H,23,25)/b8-7+.
What are the key properties of (E)-3-(2-fluorophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]prop-2-enamide?
(E)-3-(2-fluorophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]prop-2-enamide has a molecular weight of 353.40 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-fluorophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]prop-2-enamide is sourced from PubChem (CID 108924924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).