3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-1H-pyridin-2-one

C18H19FN2O3 — CID 111109373

IUPAC3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc[nH]c1=O)N1CCC(C(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H19FN2O3/c19-14-5-3-12(4-6-14)16(22)13-7-10-21(11-8-13)18(24)15-2-1-9-20-17(15)23/h1-6,9,13,16,22H,7-8,10-11H2,(H,20,23)
InChIKeyNTBUBJROXLYNMZ-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.10
Rot. Bonds3

About 3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-1H-pyridin-2-one

3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 111109373) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is 3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID111109373
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc[nH]c1=O)N1CCC(C(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H19FN2O3/c19-14-5-3-12(4-6-14)16(22)13-7-10-21(11-8-13)18(24)15-2-1-9-20-17(15)23/h1-6,9,13,16,22H,7-8,10-11H2,(H,20,23)
InChIKeyNTBUBJROXLYNMZ-UHFFFAOYSA-N
XLogP2.10
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(2-methyl-3-pyridinyl)methanone
CID 111109352
(5-fluoro-2-hydroxyphenyl)-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 111664774
[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 95617040
[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 111434266
(2,5-dimethylphenyl)-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 111109349
3-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 80551458
[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 111109390
3-(3-aminopyrrolidine-1-carbonyl)-1H-pyridin-2-one
CID 62068733
[4-(aminomethyl)phenyl]-[4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 125154336
3-[3-[(3,5-difluorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 166615901
2-ethyl-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]butan-1-one
CID 111434247
(Z)-3-cyclopropyl-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]but-2-en-1-one
CID 111109413

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-1H-pyridin-2-one (CID 111109373) is 3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-1H-pyridin-2-one is O=C(c1ccc[nH]c1=O)N1CCC(C(O)c2ccc(F)cc2)CC1.
What is the InChIKey of 3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is NTBUBJROXLYNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c19-14-5-3-12(4-6-14)16(22)13-7-10-21(11-8-13)18(24)15-2-1-9-20-17(15)23/h1-6,9,13,16,22H,7-8,10-11H2,(H,20,23).
What are the key properties of 3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-1H-pyridin-2-one?
3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 330.36 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 111109373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).