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

C25H28FN3O2 — CID 26742913

IUPACN-benzyl-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)C[C@@H]1CCNC[C@@H]1Cc1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C25H28FN3O2/c1-29(17-18-5-3-2-4-6-18)25(30)14-20-11-12-27-16-21(20)13-23-15-24(31-28-23)19-7-9-22(26)10-8-19/h2-10,15,20-21,27H,11-14,16-17H2,1H3/t20-,21-/m0/s1
InChIKeyRABHZWFIJNAQRQ-SFTDATJTSA-N
MW421.52 g/mol
LogP4.30
Rot. Bonds7

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

N-benzyl-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-methylacetamide (PubChem CID 26742913) has the molecular formula C25H28FN3O2 and a molecular weight of 421.52 g/mol. Its IUPAC name is N-benzyl-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-methylacetamide
PubChem CID26742913
Molecular FormulaC25H28FN3O2
Molecular Weight421.52 g/mol
Exact Mass421.22
IUPAC NameN-benzyl-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)C[C@@H]1CCNC[C@@H]1Cc1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C25H28FN3O2/c1-29(17-18-5-3-2-4-6-18)25(30)14-20-11-12-27-16-21(20)13-23-15-24(31-28-23)19-7-9-22(26)10-8-19/h2-10,15,20-21,27H,11-14,16-17H2,1H3/t20-,21-/m0/s1
InChIKeyRABHZWFIJNAQRQ-SFTDATJTSA-N
XLogP4.30
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-methylacetamide?
The IUPAC name of N-benzyl-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-methylacetamide (CID 26742913) is N-benzyl-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-methylacetamide?
The canonical SMILES for N-benzyl-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-methylacetamide is CN(Cc1ccccc1)C(=O)C[C@@H]1CCNC[C@@H]1Cc1cc(-c2ccc(F)cc2)on1.
What is the InChIKey of N-benzyl-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-methylacetamide?
The InChIKey is RABHZWFIJNAQRQ-SFTDATJTSA-N. The full InChI is InChI=1S/C25H28FN3O2/c1-29(17-18-5-3-2-4-6-18)25(30)14-20-11-12-27-16-21(20)13-23-15-24(31-28-23)19-7-9-22(26)10-8-19/h2-10,15,20-21,27H,11-14,16-17H2,1H3/t20-,21-/m0/s1.
What are the key properties of N-benzyl-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-methylacetamide?
N-benzyl-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-methylacetamide has a molecular weight of 421.52 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-methylacetamide is sourced from PubChem (CID 26742913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).