5-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-1-methylpyridin-2-one

C19H21FN2O3 — CID 111109435

IUPAC5-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCn1cc(C(=O)N2CCC(C(O)c3ccc(F)cc3)CC2)ccc1=O
InChIInChI=1S/C19H21FN2O3/c1-21-12-15(4-7-17(21)23)19(25)22-10-8-14(9-11-22)18(24)13-2-5-16(20)6-3-13/h2-7,12,14,18,24H,8-11H2,1H3
InChIKeyWEUGBNQXHHKLJO-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.11
Rot. Bonds3

About 5-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-1-methylpyridin-2-one

5-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-1-methylpyridin-2-one (PubChem CID 111109435) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 5-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-1-methylpyridin-2-one
PubChem CID111109435
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name5-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCn1cc(C(=O)N2CCC(C(O)c3ccc(F)cc3)CC2)ccc1=O
InChIInChI=1S/C19H21FN2O3/c1-21-12-15(4-7-17(21)23)19(25)22-10-8-14(9-11-22)18(24)13-2-5-16(20)6-3-13/h2-7,12,14,18,24H,8-11H2,1H3
InChIKeyWEUGBNQXHHKLJO-UHFFFAOYSA-N
XLogP2.11
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

PIRENPERONE_met004
CID 44223053
(Z)-but-2-enedioic acid;(1-ethylpiperidin-4-yl)-(4-fluorophenyl)methanol
CID 54586956
Cyclopentyl-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 56783974
2-Ethoxy-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone
CID 72130960
1-[4-[(4-Fluorophenyl)-hydroxymethyl]piperidin-1-yl]-3-sulfanylpropan-1-one
CID 177681074
(E)-1-[(5R,6S)-5-fluoro-5-methyl-4-methylidene-6-phenyloxazinan-2-yl]-3-phenylprop-2-en-1-one
CID 135009751
(3S*,4S*)-4-(4-fluorophenyl)-1-(3-methylbut-2-enoyl)piperidin-3-ol
CID 50950840
4-Ethoxy-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]butan-1-one
CID 56783971
5-{[(4S*,4aS*,8aS*)-4-hydroxy-4-phenyloctahydro-1(2H)-quinolinyl]carbonyl}-1-methyl-2(1H)-pyridinone
CID 56891954
1-[4-[Hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 60432146
1-[2-[4-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethyl]pyridin-2-one
CID 97191690
Tert-butyl 4-((4-fluorophenyl)(hydroxy)methyl)piperidine-1-carboxylate
CID 10614840

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-1-methylpyridin-2-one?
The IUPAC name of 5-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-1-methylpyridin-2-one (CID 111109435) is 5-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-1-methylpyridin-2-one is Cn1cc(C(=O)N2CCC(C(O)c3ccc(F)cc3)CC2)ccc1=O.
What is the InChIKey of 5-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-1-methylpyridin-2-one?
The InChIKey is WEUGBNQXHHKLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-21-12-15(4-7-17(21)23)19(25)22-10-8-14(9-11-22)18(24)13-2-5-16(20)6-3-13/h2-7,12,14,18,24H,8-11H2,1H3.
What are the key properties of 5-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-1-methylpyridin-2-one?
5-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-1-methylpyridin-2-one has a molecular weight of 344.39 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 111109435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).