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

C24H24FN3O — CID 53137593

IUPAC2-(3-fluorophenyl)-1-[3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone
SMILESCc1cccc(-c2nccc(C3CCCN(C(=O)Cc4cccc(F)c4)C3)n2)c1
InChIInChI=1S/C24H24FN3O/c1-17-5-2-7-19(13-17)24-26-11-10-22(27-24)20-8-4-12-28(16-20)23(29)15-18-6-3-9-21(25)14-18/h2-3,5-7,9-11,13-14,20H,4,8,12,15-16H2,1H3
InChIKeyHMDCSPWBMGIKFN-UHFFFAOYSA-N
MW389.47 g/mol
LogP4.54
Rot. Bonds4

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

2-(3-fluorophenyl)-1-[3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone (PubChem CID 53137593) has the molecular formula C24H24FN3O and a molecular weight of 389.47 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone
PubChem CID53137593
Molecular FormulaC24H24FN3O
Molecular Weight389.47 g/mol
Exact Mass389.19
IUPAC Name2-(3-fluorophenyl)-1-[3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone
SMILESCc1cccc(-c2nccc(C3CCCN(C(=O)Cc4cccc(F)c4)C3)n2)c1
InChIInChI=1S/C24H24FN3O/c1-17-5-2-7-19(13-17)24-26-11-10-22(27-24)20-8-4-12-28(16-20)23(29)15-18-6-3-9-21(25)14-18/h2-3,5-7,9-11,13-14,20H,4,8,12,15-16H2,1H3
InChIKeyHMDCSPWBMGIKFN-UHFFFAOYSA-N
XLogP4.54
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone (CID 53137593) is 2-(3-fluorophenyl)-1-[3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone is Cc1cccc(-c2nccc(C3CCCN(C(=O)Cc4cccc(F)c4)C3)n2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-1-[3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone?
The InChIKey is HMDCSPWBMGIKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O/c1-17-5-2-7-19(13-17)24-26-11-10-22(27-24)20-8-4-12-28(16-20)23(29)15-18-6-3-9-21(25)14-18/h2-3,5-7,9-11,13-14,20H,4,8,12,15-16H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-1-[3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone?
2-(3-fluorophenyl)-1-[3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone has a molecular weight of 389.47 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 53137593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).