2-[(3R)-3-(3-fluoroanilino)piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one

C18H20FN3O3 — CID 95728663

IUPAC2-[(3R)-3-(3-fluoroanilino)piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one
SMILESCOc1c[nH]c(C(=O)N2CCC[C@@H](Nc3cccc(F)c3)C2)cc1=O
InChIInChI=1S/C18H20FN3O3/c1-25-17-10-20-15(9-16(17)23)18(24)22-7-3-6-14(11-22)21-13-5-2-4-12(19)8-13/h2,4-5,8-10,14,21H,3,6-7,11H2,1H3,(H,20,23)/t14-/m1/s1
InChIKeyKAADWCWOFIDVBF-CQSZACIVSA-N
MW345.37 g/mol
LogP2.24
Rot. Bonds4

About 2-[(3R)-3-(3-fluoroanilino)piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one

2-[(3R)-3-(3-fluoroanilino)piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one (PubChem CID 95728663) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 2-[(3R)-3-(3-fluoroanilino)piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[(3R)-3-(3-fluoroanilino)piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one
PubChem CID95728663
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name2-[(3R)-3-(3-fluoroanilino)piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one
SMILESCOc1c[nH]c(C(=O)N2CCC[C@@H](Nc3cccc(F)c3)C2)cc1=O
InChIInChI=1S/C18H20FN3O3/c1-25-17-10-20-15(9-16(17)23)18(24)22-7-3-6-14(11-22)21-13-5-2-4-12(19)8-13/h2,4-5,8-10,14,21H,3,6-7,11H2,1H3,(H,20,23)/t14-/m1/s1
InChIKeyKAADWCWOFIDVBF-CQSZACIVSA-N
XLogP2.24
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-(3-fluoroanilino)piperidin-1-yl]-(3-hydroxy-4-methoxyphenyl)methanone
CID 95725177
1-[(3S)-3-(3-fluoroanilino)piperidin-1-yl]-2-methoxyethanone
CID 25370122
2-[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one
CID 95558043
[3-(3-fluoroanilino)piperidin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
CID 56915294
N-[4-[(3R)-3-(3-fluoroanilino)piperidine-1-carbonyl]phenyl]acetamide
CID 25380229
[3-(3-fluoroanilino)piperidin-1-yl]-thiophen-3-ylmethanone
CID 24791859
2-[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one
CID 95719935
1-[2-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 26321736
[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 95717763
[(3S)-3-(3,4-dimethoxyanilino)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 42461601
1-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-3-(1-methylpiperidin-4-yl)propan-1-one
CID 95713603
(5-fluoro-2-methoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119493446

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(3-fluoroanilino)piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one?
The IUPAC name of 2-[(3R)-3-(3-fluoroanilino)piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one (CID 95728663) is 2-[(3R)-3-(3-fluoroanilino)piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one.
What is the SMILES notation for 2-[(3R)-3-(3-fluoroanilino)piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one?
The canonical SMILES for 2-[(3R)-3-(3-fluoroanilino)piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one is COc1c[nH]c(C(=O)N2CCC[C@@H](Nc3cccc(F)c3)C2)cc1=O.
What is the InChIKey of 2-[(3R)-3-(3-fluoroanilino)piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one?
The InChIKey is KAADWCWOFIDVBF-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-25-17-10-20-15(9-16(17)23)18(24)22-7-3-6-14(11-22)21-13-5-2-4-12(19)8-13/h2,4-5,8-10,14,21H,3,6-7,11H2,1H3,(H,20,23)/t14-/m1/s1.
What are the key properties of 2-[(3R)-3-(3-fluoroanilino)piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one?
2-[(3R)-3-(3-fluoroanilino)piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one has a molecular weight of 345.37 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(3-fluoroanilino)piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one is sourced from PubChem (CID 95728663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).