(2,6-dimethylpyrimidin-4-yl)-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methanone

C20H24FN3O — CID 42245768

IUPAC(2,6-dimethylpyrimidin-4-yl)-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC[C@H](CCc3cccc(F)c3)C2)nc(C)n1
InChIInChI=1S/C20H24FN3O/c1-14-11-19(23-15(2)22-14)20(25)24-10-4-6-17(13-24)9-8-16-5-3-7-18(21)12-16/h3,5,7,11-12,17H,4,6,8-10,13H2,1-2H3/t17-/m1/s1
InChIKeyPMAGZHDDILOIRT-QGZVFWFLSA-N
MW341.43 g/mol
LogP3.72
Rot. Bonds4

About (2,6-dimethylpyrimidin-4-yl)-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methanone

(2,6-dimethylpyrimidin-4-yl)-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methanone (PubChem CID 42245768) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is (2,6-dimethylpyrimidin-4-yl)-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethylpyrimidin-4-yl)-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methanone
PubChem CID42245768
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name(2,6-dimethylpyrimidin-4-yl)-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC[C@H](CCc3cccc(F)c3)C2)nc(C)n1
InChIInChI=1S/C20H24FN3O/c1-14-11-19(23-15(2)22-14)20(25)24-10-4-6-17(13-24)9-8-16-5-3-7-18(21)12-16/h3,5,7,11-12,17H,4,6,8-10,13H2,1-2H3/t17-/m1/s1
InChIKeyPMAGZHDDILOIRT-QGZVFWFLSA-N
XLogP3.72
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2,6-dimethylpyrimidin-4-yl)-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone
CID 42558084
6-[(3R)-3-[2-(3-fluorophenyl)ethyl]piperidine-1-carbonyl]-2-methylpyridazin-3-one
CID 26333754
[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 45188597
[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 42459967
[(3R)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 25459016
N-[2-[(3R)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 25485498
1-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-2-methoxyethanone
CID 56743313
1-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-2-methoxyethanone
CID 95200233
1-[4-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 26401825
[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone
CID 56867801
4,4,4-trifluoro-1-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]butan-1-one
CID 95129018
(1-ethylpiperidin-4-yl)-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 42150617

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpyrimidin-4-yl)-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methanone?
The IUPAC name of (2,6-dimethylpyrimidin-4-yl)-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methanone (CID 42245768) is (2,6-dimethylpyrimidin-4-yl)-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2,6-dimethylpyrimidin-4-yl)-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for (2,6-dimethylpyrimidin-4-yl)-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methanone is Cc1cc(C(=O)N2CCC[C@H](CCc3cccc(F)c3)C2)nc(C)n1.
What is the InChIKey of (2,6-dimethylpyrimidin-4-yl)-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methanone?
The InChIKey is PMAGZHDDILOIRT-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H24FN3O/c1-14-11-19(23-15(2)22-14)20(25)24-10-4-6-17(13-24)9-8-16-5-3-7-18(21)12-16/h3,5,7,11-12,17H,4,6,8-10,13H2,1-2H3/t17-/m1/s1.
What are the key properties of (2,6-dimethylpyrimidin-4-yl)-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methanone?
(2,6-dimethylpyrimidin-4-yl)-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methanone has a molecular weight of 341.43 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpyrimidin-4-yl)-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 42245768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).