[4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-(1-methylpiperidin-4-yl)methanone

C23H30FN3O2 — CID 110110892

IUPAC[4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
SMILESCN1CCC(C(=O)N2CCC(C)(c3ncc(Cc4cccc(F)c4)o3)CC2)CC1
InChIInChI=1S/C23H30FN3O2/c1-23(22-25-16-20(29-22)15-17-4-3-5-19(24)14-17)8-12-27(13-9-23)21(28)18-6-10-26(2)11-7-18/h3-5,14,16,18H,6-13,15H2,1-2H3
InChIKeyYHLISKNJIMVWFL-UHFFFAOYSA-N
MW399.51 g/mol
LogP3.63
Rot. Bonds4

About [4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-(1-methylpiperidin-4-yl)methanone

[4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-(1-methylpiperidin-4-yl)methanone (PubChem CID 110110892) has the molecular formula C23H30FN3O2 and a molecular weight of 399.51 g/mol. Its IUPAC name is [4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-(1-methylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
PubChem CID110110892
Molecular FormulaC23H30FN3O2
Molecular Weight399.51 g/mol
Exact Mass399.23
IUPAC Name[4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
SMILESCN1CCC(C(=O)N2CCC(C)(c3ncc(Cc4cccc(F)c4)o3)CC2)CC1
InChIInChI=1S/C23H30FN3O2/c1-23(22-25-16-20(29-22)15-17-4-3-5-19(24)14-17)8-12-27(13-9-23)21(28)18-6-10-26(2)11-7-18/h3-5,14,16,18H,6-13,15H2,1-2H3
InChIKeyYHLISKNJIMVWFL-UHFFFAOYSA-N
XLogP3.63
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.51
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-(1-methylpiperidin-4-yl)methanone?
The IUPAC name of [4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-(1-methylpiperidin-4-yl)methanone (CID 110110892) is [4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-(1-methylpiperidin-4-yl)methanone.
What is the SMILES notation for [4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-(1-methylpiperidin-4-yl)methanone?
The canonical SMILES for [4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-(1-methylpiperidin-4-yl)methanone is CN1CCC(C(=O)N2CCC(C)(c3ncc(Cc4cccc(F)c4)o3)CC2)CC1.
What is the InChIKey of [4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-(1-methylpiperidin-4-yl)methanone?
The InChIKey is YHLISKNJIMVWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O2/c1-23(22-25-16-20(29-22)15-17-4-3-5-19(24)14-17)8-12-27(13-9-23)21(28)18-6-10-26(2)11-7-18/h3-5,14,16,18H,6-13,15H2,1-2H3.
What are the key properties of [4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-(1-methylpiperidin-4-yl)methanone?
[4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-(1-methylpiperidin-4-yl)methanone has a molecular weight of 399.51 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-(1-methylpiperidin-4-yl)methanone is sourced from PubChem (CID 110110892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).