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

C23H22FN3O — CID 53137682

IUPAC[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCCC(c2ccnc(-c3ccc(F)cc3)n2)C1
InChIInChI=1S/C23H22FN3O/c1-16-5-2-3-7-20(16)23(28)27-14-4-6-18(15-27)21-12-13-25-22(26-21)17-8-10-19(24)11-9-17/h2-3,5,7-13,18H,4,6,14-15H2,1H3
InChIKeySCRYYOYMVUXOED-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.61
Rot. Bonds3

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

[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2-methylphenyl)methanone (PubChem CID 53137682) has the molecular formula C23H22FN3O and a molecular weight of 375.45 g/mol. Its IUPAC name is [3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2-methylphenyl)methanone
PubChem CID53137682
Molecular FormulaC23H22FN3O
Molecular Weight375.45 g/mol
Exact Mass375.17
IUPAC Name[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCCC(c2ccnc(-c3ccc(F)cc3)n2)C1
InChIInChI=1S/C23H22FN3O/c1-16-5-2-3-7-20(16)23(28)27-14-4-6-18(15-27)21-12-13-25-22(26-21)17-8-10-19(24)11-9-17/h2-3,5,7-13,18H,4,6,14-15H2,1H3
InChIKeySCRYYOYMVUXOED-UHFFFAOYSA-N
XLogP4.61
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.61
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)pyrimidin-4-yl]piperidin-1-yl]-(2-methylphenyl)methanone?
The IUPAC name of [3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2-methylphenyl)methanone (CID 53137682) is [3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2-methylphenyl)methanone is Cc1ccccc1C(=O)N1CCCC(c2ccnc(-c3ccc(F)cc3)n2)C1.
What is the InChIKey of [3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2-methylphenyl)methanone?
The InChIKey is SCRYYOYMVUXOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O/c1-16-5-2-3-7-20(16)23(28)27-14-4-6-18(15-27)21-12-13-25-22(26-21)17-8-10-19(24)11-9-17/h2-3,5,7-13,18H,4,6,14-15H2,1H3.
What are the key properties of [3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2-methylphenyl)methanone?
[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2-methylphenyl)methanone has a molecular weight of 375.45 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 53137682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).