4-[4-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one

C24H28FN3O2 — CID 110263685

IUPAC4-[4-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one
SMILESCc1cc(Cc2cccc(F)c2)cc(C2CCN(C(=O)C3CC(=O)N(C)C3)CC2)n1
InChIInChI=1S/C24H28FN3O2/c1-16-10-18(11-17-4-3-5-21(25)12-17)13-22(26-16)19-6-8-28(9-7-19)24(30)20-14-23(29)27(2)15-20/h3-5,10,12-13,19-20H,6-9,11,14-15H2,1-2H3
InChIKeyLEPKUVMKQXGPLI-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.30
Rot. Bonds4

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

4-[4-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one (PubChem CID 110263685) has the molecular formula C24H28FN3O2 and a molecular weight of 409.51 g/mol. Its IUPAC name is 4-[4-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one
PubChem CID110263685
Molecular FormulaC24H28FN3O2
Molecular Weight409.51 g/mol
Exact Mass409.22
IUPAC Name4-[4-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one
SMILESCc1cc(Cc2cccc(F)c2)cc(C2CCN(C(=O)C3CC(=O)N(C)C3)CC2)n1
InChIInChI=1S/C24H28FN3O2/c1-16-10-18(11-17-4-3-5-21(25)12-17)13-22(26-16)19-6-8-28(9-7-19)24(30)20-14-23(29)27(2)15-20/h3-5,10,12-13,19-20H,6-9,11,14-15H2,1-2H3
InChIKeyLEPKUVMKQXGPLI-UHFFFAOYSA-N
XLogP3.30
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[(3S)-3-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]ethanone
CID 95814426
5-[[(3R)-3-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine
CID 95834716
[2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone
CID 127251451
1-[(2S)-2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 125007770
4-[(3-fluorophenyl)methyl]-2-methyl-6-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyridine
CID 92617071
1-[4-[(3R)-3-[6-methyl-4-[(3-methylphenyl)methyl]-2-pyridinyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 95816466
4-[2-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-6-(methylamino)pyrimidin-4-yl]-1-methylpyrrolidin-2-one
CID 110250901
(4S)-4-[2-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-6-(methylamino)pyrimidin-4-yl]-1-methylpyrrolidin-2-one
CID 92619325
[(3R)-3-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 95814285
(4R)-1-methyl-4-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 92615288
2-(4-fluorophenyl)-1-[(2S)-2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]ethanone
CID 129454540
(2R)-2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]-4-pyrrolidin-1-ylsulfonylmorpholine
CID 125003032

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one?
The IUPAC name of 4-[4-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one (CID 110263685) is 4-[4-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 4-[4-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 4-[4-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one is Cc1cc(Cc2cccc(F)c2)cc(C2CCN(C(=O)C3CC(=O)N(C)C3)CC2)n1.
What is the InChIKey of 4-[4-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one?
The InChIKey is LEPKUVMKQXGPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O2/c1-16-10-18(11-17-4-3-5-21(25)12-17)13-22(26-16)19-6-8-28(9-7-19)24(30)20-14-23(29)27(2)15-20/h3-5,10,12-13,19-20H,6-9,11,14-15H2,1-2H3.
What are the key properties of 4-[4-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one?
4-[4-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one has a molecular weight of 409.51 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 110263685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).