1-[2-(3-fluorophenyl)ethyl]-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-6-oxopiperidine-3-carboxamide

C22H28FN3O3 — CID 24790717

IUPAC1-[2-(3-fluorophenyl)ethyl]-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-6-oxopiperidine-3-carboxamide
SMILESCC(C)Cc1cc(CNC(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)on1
InChIInChI=1S/C22H28FN3O3/c1-15(2)10-19-12-20(29-25-19)13-24-22(28)17-6-7-21(27)26(14-17)9-8-16-4-3-5-18(23)11-16/h3-5,11-12,15,17H,6-10,13-14H2,1-2H3,(H,24,28)
InChIKeyAKMUAFWJLPXZSG-UHFFFAOYSA-N
MW401.48 g/mol
LogP3.11
Rot. Bonds8

About 1-[2-(3-fluorophenyl)ethyl]-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-6-oxopiperidine-3-carboxamide

1-[2-(3-fluorophenyl)ethyl]-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24790717) has the molecular formula C22H28FN3O3 and a molecular weight of 401.48 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24790717
Molecular FormulaC22H28FN3O3
Molecular Weight401.48 g/mol
Exact Mass401.21
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-6-oxopiperidine-3-carboxamide
SMILESCC(C)Cc1cc(CNC(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)on1
InChIInChI=1S/C22H28FN3O3/c1-15(2)10-19-12-20(29-25-19)13-24-22(28)17-6-7-21(27)26(14-17)9-8-16-4-3-5-18(23)11-16/h3-5,11-12,15,17H,6-10,13-14H2,1-2H3,(H,24,28)
InChIKeyAKMUAFWJLPXZSG-UHFFFAOYSA-N
XLogP3.11
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.48
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-6-oxopiperidine-3-carboxamide (CID 24790717) is 1-[2-(3-fluorophenyl)ethyl]-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-6-oxopiperidine-3-carboxamide is CC(C)Cc1cc(CNC(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)on1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is AKMUAFWJLPXZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O3/c1-15(2)10-19-12-20(29-25-19)13-24-22(28)17-6-7-21(27)26(14-17)9-8-16-4-3-5-18(23)11-16/h3-5,11-12,15,17H,6-10,13-14H2,1-2H3,(H,24,28).
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-6-oxopiperidine-3-carboxamide?
1-[2-(3-fluorophenyl)ethyl]-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 401.48 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethyl]-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24790717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).