1-[[2-(4-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperidine-4-carboxamide

C28H41FN4O2 — CID 72793927

IUPAC1-[[2-(4-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperidine-4-carboxamide
SMILESCc1cc(-c2nc(CN3CCC(C(=O)NCCCN4CCC(C(C)C)CC4)CC3)co2)ccc1F
InChIInChI=1S/C28H41FN4O2/c1-20(2)22-7-13-32(14-8-22)12-4-11-30-27(34)23-9-15-33(16-10-23)18-25-19-35-28(31-25)24-5-6-26(29)21(3)17-24/h5-6,17,19-20,22-23H,4,7-16,18H2,1-3H3,(H,30,34)
InChIKeyAUWFNASAXTXUCY-UHFFFAOYSA-N
MW484.66 g/mol
LogP4.88
Rot. Bonds9

About 1-[[2-(4-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperidine-4-carboxamide

1-[[2-(4-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperidine-4-carboxamide (PubChem CID 72793927) has the molecular formula C28H41FN4O2 and a molecular weight of 484.66 g/mol. Its IUPAC name is 1-[[2-(4-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[2-(4-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperidine-4-carboxamide
PubChem CID72793927
Molecular FormulaC28H41FN4O2
Molecular Weight484.66 g/mol
Exact Mass484.32
IUPAC Name1-[[2-(4-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperidine-4-carboxamide
SMILESCc1cc(-c2nc(CN3CCC(C(=O)NCCCN4CCC(C(C)C)CC4)CC3)co2)ccc1F
InChIInChI=1S/C28H41FN4O2/c1-20(2)22-7-13-32(14-8-22)12-4-11-30-27(34)23-9-15-33(16-10-23)18-25-19-35-28(31-25)24-5-6-26(29)21(3)17-24/h5-6,17,19-20,22-23H,4,7-16,18H2,1-3H3,(H,30,34)
InChIKeyAUWFNASAXTXUCY-UHFFFAOYSA-N
XLogP4.88
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.66
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[2-(4-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperidine-4-carboxamide (CID 72793927) is 1-[[2-(4-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[2-(4-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[2-(4-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperidine-4-carboxamide is Cc1cc(-c2nc(CN3CCC(C(=O)NCCCN4CCC(C(C)C)CC4)CC3)co2)ccc1F.
What is the InChIKey of 1-[[2-(4-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperidine-4-carboxamide?
The InChIKey is AUWFNASAXTXUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41FN4O2/c1-20(2)22-7-13-32(14-8-22)12-4-11-30-27(34)23-9-15-33(16-10-23)18-25-19-35-28(31-25)24-5-6-26(29)21(3)17-24/h5-6,17,19-20,22-23H,4,7-16,18H2,1-3H3,(H,30,34).
What are the key properties of 1-[[2-(4-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperidine-4-carboxamide?
1-[[2-(4-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperidine-4-carboxamide has a molecular weight of 484.66 g/mol, XLogP of 4.88, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 72793927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).