3-[2-(4-fluorophenyl)piperidine-1-carbonyl]-1-(6-methoxy-3-pyridinyl)-4-methylpyridin-2-one

C24H24FN3O3 — CID 172670453

IUPAC3-[2-(4-fluorophenyl)piperidine-1-carbonyl]-1-(6-methoxy-3-pyridinyl)-4-methylpyridin-2-one
SMILESCOc1ccc(-n2ccc(C)c(C(=O)N3CCCCC3c3ccc(F)cc3)c2=O)cn1
InChIInChI=1S/C24H24FN3O3/c1-16-12-14-27(19-10-11-21(31-2)26-15-19)23(29)22(16)24(30)28-13-4-3-5-20(28)17-6-8-18(25)9-7-17/h6-12,14-15,20H,3-5,13H2,1-2H3
InChIKeyPCTJVOKENWZNIP-UHFFFAOYSA-N
MW421.47 g/mol
LogP4.06
Rot. Bonds4

About 3-[2-(4-fluorophenyl)piperidine-1-carbonyl]-1-(6-methoxy-3-pyridinyl)-4-methylpyridin-2-one

3-[2-(4-fluorophenyl)piperidine-1-carbonyl]-1-(6-methoxy-3-pyridinyl)-4-methylpyridin-2-one (PubChem CID 172670453) has the molecular formula C24H24FN3O3 and a molecular weight of 421.47 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)piperidine-1-carbonyl]-1-(6-methoxy-3-pyridinyl)-4-methylpyridin-2-one.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)piperidine-1-carbonyl]-1-(6-methoxy-3-pyridinyl)-4-methylpyridin-2-one
PubChem CID172670453
Molecular FormulaC24H24FN3O3
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC Name3-[2-(4-fluorophenyl)piperidine-1-carbonyl]-1-(6-methoxy-3-pyridinyl)-4-methylpyridin-2-one
SMILESCOc1ccc(-n2ccc(C)c(C(=O)N3CCCCC3c3ccc(F)cc3)c2=O)cn1
InChIInChI=1S/C24H24FN3O3/c1-16-12-14-27(19-10-11-21(31-2)26-15-19)23(29)22(16)24(30)28-13-4-3-5-20(28)17-6-8-18(25)9-7-17/h6-12,14-15,20H,3-5,13H2,1-2H3
InChIKeyPCTJVOKENWZNIP-UHFFFAOYSA-N
XLogP4.06
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-fluorophenyl)piperidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 70732659
6-[2-(4-fluorophenyl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 70772515
3-[2-(3-fluorophenyl)azepane-1-carbonyl]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyridin-2-one
CID 172672855
1-(4-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]-4-methylpyridin-2-one
CID 172659354
[2-(4-fluorophenyl)piperidin-1-yl]-(4-hydroxy-3-methoxyphenyl)methanone
CID 70772344
[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 39678742
8a-ethyl-7-[1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxopyridine-3-carbonyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 172672286
[(2R)-2-[4-(cyclopentylamino)phenyl]piperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone
CID 146793309
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 51111109
1-(1,3-benzodioxol-5-yl)-4-methyl-3-[2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carbonyl]pyridin-2-one
CID 172668075
3-[3-(2,3-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-fluorophenyl)-4-methylpyridin-2-one
CID 172666521
[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 32840665

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)piperidine-1-carbonyl]-1-(6-methoxy-3-pyridinyl)-4-methylpyridin-2-one?
The IUPAC name of 3-[2-(4-fluorophenyl)piperidine-1-carbonyl]-1-(6-methoxy-3-pyridinyl)-4-methylpyridin-2-one (CID 172670453) is 3-[2-(4-fluorophenyl)piperidine-1-carbonyl]-1-(6-methoxy-3-pyridinyl)-4-methylpyridin-2-one.
What is the SMILES notation for 3-[2-(4-fluorophenyl)piperidine-1-carbonyl]-1-(6-methoxy-3-pyridinyl)-4-methylpyridin-2-one?
The canonical SMILES for 3-[2-(4-fluorophenyl)piperidine-1-carbonyl]-1-(6-methoxy-3-pyridinyl)-4-methylpyridin-2-one is COc1ccc(-n2ccc(C)c(C(=O)N3CCCCC3c3ccc(F)cc3)c2=O)cn1.
What is the InChIKey of 3-[2-(4-fluorophenyl)piperidine-1-carbonyl]-1-(6-methoxy-3-pyridinyl)-4-methylpyridin-2-one?
The InChIKey is PCTJVOKENWZNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3/c1-16-12-14-27(19-10-11-21(31-2)26-15-19)23(29)22(16)24(30)28-13-4-3-5-20(28)17-6-8-18(25)9-7-17/h6-12,14-15,20H,3-5,13H2,1-2H3.
What are the key properties of 3-[2-(4-fluorophenyl)piperidine-1-carbonyl]-1-(6-methoxy-3-pyridinyl)-4-methylpyridin-2-one?
3-[2-(4-fluorophenyl)piperidine-1-carbonyl]-1-(6-methoxy-3-pyridinyl)-4-methylpyridin-2-one has a molecular weight of 421.47 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)piperidine-1-carbonyl]-1-(6-methoxy-3-pyridinyl)-4-methylpyridin-2-one is sourced from PubChem (CID 172670453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).