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

C19H20FN3O — CID 53137666

IUPACcyclopropyl-[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCCC(c2ccnc(-c3ccc(F)cc3)n2)C1
InChIInChI=1S/C19H20FN3O/c20-16-7-5-13(6-8-16)18-21-10-9-17(22-18)15-2-1-11-23(12-15)19(24)14-3-4-14/h5-10,14-15H,1-4,11-12H2
InChIKeyZGFXRTLKDLWDAY-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.40
Rot. Bonds3

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

cyclopropyl-[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone (PubChem CID 53137666) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is cyclopropyl-[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
PubChem CID53137666
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC Namecyclopropyl-[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCCC(c2ccnc(-c3ccc(F)cc3)n2)C1
InChIInChI=1S/C19H20FN3O/c20-16-7-5-13(6-8-16)18-21-10-9-17(22-18)15-2-1-11-23(12-15)19(24)14-3-4-14/h5-10,14-15H,1-4,11-12H2
InChIKeyZGFXRTLKDLWDAY-UHFFFAOYSA-N
XLogP3.40
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone (CID 53137666) is cyclopropyl-[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone is O=C(C1CC1)N1CCCC(c2ccnc(-c3ccc(F)cc3)n2)C1.
What is the InChIKey of cyclopropyl-[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone?
The InChIKey is ZGFXRTLKDLWDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O/c20-16-7-5-13(6-8-16)18-21-10-9-17(22-18)15-2-1-11-23(12-15)19(24)14-3-4-14/h5-10,14-15H,1-4,11-12H2.
What are the key properties of cyclopropyl-[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone?
cyclopropyl-[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone has a molecular weight of 325.39 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 53137666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).