2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]acetamide

C22H30FN3O2 — CID 26742973

IUPAC2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCCCc1cc(C[C@H]2CNCC[C@H]2CC(=O)NCc2ccc(F)cc2)no1
InChIInChI=1S/C22H30FN3O2/c1-2-3-4-21-13-20(26-28-21)11-18-15-24-10-9-17(18)12-22(27)25-14-16-5-7-19(23)8-6-16/h5-8,13,17-18,24H,2-4,9-12,14-15H2,1H3,(H,25,27)/t17-,18-/m0/s1
InChIKeyXFDZVZJAAUZCHF-ROUUACIJSA-N
MW387.50 g/mol
LogP3.63
Rot. Bonds9

About 2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]acetamide

2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 26742973) has the molecular formula C22H30FN3O2 and a molecular weight of 387.50 g/mol. Its IUPAC name is 2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID26742973
Molecular FormulaC22H30FN3O2
Molecular Weight387.50 g/mol
Exact Mass387.23
IUPAC Name2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCCCc1cc(C[C@H]2CNCC[C@H]2CC(=O)NCc2ccc(F)cc2)no1
InChIInChI=1S/C22H30FN3O2/c1-2-3-4-21-13-20(26-28-21)11-18-15-24-10-9-17(18)12-22(27)25-14-16-5-7-19(23)8-6-16/h5-8,13,17-18,24H,2-4,9-12,14-15H2,1H3,(H,25,27)/t17-,18-/m0/s1
InChIKeyXFDZVZJAAUZCHF-ROUUACIJSA-N
XLogP3.63
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]acetamide (CID 26742973) is 2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]acetamide is CCCCc1cc(C[C@H]2CNCC[C@H]2CC(=O)NCc2ccc(F)cc2)no1.
What is the InChIKey of 2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is XFDZVZJAAUZCHF-ROUUACIJSA-N. The full InChI is InChI=1S/C22H30FN3O2/c1-2-3-4-21-13-20(26-28-21)11-18-15-24-10-9-17(18)12-22(27)25-14-16-5-7-19(23)8-6-16/h5-8,13,17-18,24H,2-4,9-12,14-15H2,1H3,(H,25,27)/t17-,18-/m0/s1.
What are the key properties of 2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]acetamide?
2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 387.50 g/mol, XLogP of 3.63, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 26742973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).