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

C21H26FN3O — CID 56875175

IUPAC[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone
SMILESCCCc1ncncc1C(=O)N1CCCC(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
InChIKeyIHEUPDOGSYEHKS-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.05
Rot. Bonds6

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

[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone (PubChem CID 56875175) has the molecular formula C21H26FN3O and a molecular weight of 355.46 g/mol. Its IUPAC name is [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone
PubChem CID56875175
Molecular FormulaC21H26FN3O
Molecular Weight355.46 g/mol
Exact Mass355.21
IUPAC Name[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone
SMILESCCCc1ncncc1C(=O)N1CCCC(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
InChIKeyIHEUPDOGSYEHKS-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone?
The IUPAC name of [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone (CID 56875175) is [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone.
What is the SMILES notation for [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone?
The canonical SMILES for [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone is CCCc1ncncc1C(=O)N1CCCC(CCc2ccc(F)cc2)C1.
What is the InChIKey of [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone?
The InChIKey is IHEUPDOGSYEHKS-UHFFFAOYSA-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.
What are the key properties of [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone?
[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 [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone is sourced from PubChem (CID 56875175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).