cyclohexyl-[3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone

C22H26FN3O — CID 53137683

IUPACcyclohexyl-[3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCCC(c2ccnc(-c3cccc(F)c3)n2)C1
InChIInChI=1S/C22H26FN3O/c23-19-10-4-8-17(14-19)21-24-12-11-20(25-21)18-9-5-13-26(15-18)22(27)16-6-2-1-3-7-16/h4,8,10-12,14,16,18H,1-3,5-7,9,13,15H2
InChIKeyRVLBONWTOQVZCK-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.57
Rot. Bonds3

About cyclohexyl-[3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone

cyclohexyl-[3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone (PubChem CID 53137683) has the molecular formula C22H26FN3O and a molecular weight of 367.47 g/mol. Its IUPAC name is cyclohexyl-[3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
PubChem CID53137683
Molecular FormulaC22H26FN3O
Molecular Weight367.47 g/mol
Exact Mass367.21
IUPAC Namecyclohexyl-[3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCCC(c2ccnc(-c3cccc(F)c3)n2)C1
InChIInChI=1S/C22H26FN3O/c23-19-10-4-8-17(14-19)21-24-12-11-20(25-21)18-9-5-13-26(15-18)22(27)16-6-2-1-3-7-16/h4,8,10-12,14,16,18H,1-3,5-7,9,13,15H2
InChIKeyRVLBONWTOQVZCK-UHFFFAOYSA-N
XLogP4.57
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone (CID 53137683) is cyclohexyl-[3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone is O=C(C1CCCCC1)N1CCCC(c2ccnc(-c3cccc(F)c3)n2)C1.
What is the InChIKey of cyclohexyl-[3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone?
The InChIKey is RVLBONWTOQVZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O/c23-19-10-4-8-17(14-19)21-24-12-11-20(25-21)18-9-5-13-26(15-18)22(27)16-6-2-1-3-7-16/h4,8,10-12,14,16,18H,1-3,5-7,9,13,15H2.
What are the key properties of cyclohexyl-[3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone?
cyclohexyl-[3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone has a molecular weight of 367.47 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 53137683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).