[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone

C21H26FN3O — CID 95554892

IUPAC[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone
SMILESCCCc1ncncc1C(=O)N1CCC[C@@H](CCc2ccc(F)cc2)C1
InChIInChI=1S/C21H26FN3O/c1-2-4-20-19(13-23-15-24-20)21(26)25-12-3-5-17(14-25)7-6-16-8-10-18(22)11-9-16/h8-11,13,15,17H,2-7,12,14H2,1H3/t17-/m0/s1
InChIKeyIHEUPDOGSYEHKS-KRWDZBQOSA-N
MW355.46 g/mol
LogP4.05
Rot. Bonds6

About [(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone

[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone (PubChem CID 95554892) has the molecular formula C21H26FN3O and a molecular weight of 355.46 g/mol. Its IUPAC name is [(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone
PubChem CID95554892
Molecular FormulaC21H26FN3O
Molecular Weight355.46 g/mol
Exact Mass355.21
IUPAC Name[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone
SMILESCCCc1ncncc1C(=O)N1CCC[C@@H](CCc2ccc(F)cc2)C1
InChIInChI=1S/C21H26FN3O/c1-2-4-20-19(13-23-15-24-20)21(26)25-12-3-5-17(14-25)7-6-16-8-10-18(22)11-9-16/h8-11,13,15,17H,2-7,12,14H2,1H3/t17-/m0/s1
InChIKeyIHEUPDOGSYEHKS-KRWDZBQOSA-N
XLogP4.05
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 95550139
[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 56879699
(2,4-dimethylpyrimidin-5-yl)-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 56864739
[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 95401226
[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95532367
[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 56868776
(2,3-difluorophenyl)-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 95557591
[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 56872964
[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 95552871
(5-ethyl-1,2-oxazol-3-yl)-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 95550158
3-[3-[2-(4-fluorophenyl)ethyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 56919385
[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 95542975

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone?
The IUPAC name of [(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone (CID 95554892) is [(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone.
What is the SMILES notation for [(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone?
The canonical SMILES for [(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone is CCCc1ncncc1C(=O)N1CCC[C@@H](CCc2ccc(F)cc2)C1.
What is the InChIKey of [(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone?
The InChIKey is IHEUPDOGSYEHKS-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H26FN3O/c1-2-4-20-19(13-23-15-24-20)21(26)25-12-3-5-17(14-25)7-6-16-8-10-18(22)11-9-16/h8-11,13,15,17H,2-7,12,14H2,1H3/t17-/m0/s1.
What are the key properties of [(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone?
[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone has a molecular weight of 355.46 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone is sourced from PubChem (CID 95554892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).