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

C26H31N3O3 — CID 26743151

IUPACN-benzyl-N-methyl-2-[(3R,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
SMILESCN(Cc1ccccc1)C(=O)C[C@@H]1CCNC[C@@H]1Cc1cc(COc2ccccc2)on1
InChIInChI=1S/C26H31N3O3/c1-29(18-20-8-4-2-5-9-20)26(30)15-21-12-13-27-17-22(21)14-23-16-25(32-28-23)19-31-24-10-6-3-7-11-24/h2-11,16,21-22,27H,12-15,17-19H2,1H3/t21-,22-/m0/s1
InChIKeyOIOQKNXZSFAHLE-VXKWHMMOSA-N
MW433.55 g/mol
LogP4.07
Rot. Bonds9

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

N-benzyl-N-methyl-2-[(3R,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide (PubChem CID 26743151) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-[(3R,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-[(3R,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
PubChem CID26743151
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC NameN-benzyl-N-methyl-2-[(3R,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
SMILESCN(Cc1ccccc1)C(=O)C[C@@H]1CCNC[C@@H]1Cc1cc(COc2ccccc2)on1
InChIInChI=1S/C26H31N3O3/c1-29(18-20-8-4-2-5-9-20)26(30)15-21-12-13-27-17-22(21)14-23-16-25(32-28-23)19-31-24-10-6-3-7-11-24/h2-11,16,21-22,27H,12-15,17-19H2,1H3/t21-,22-/m0/s1
InChIKeyOIOQKNXZSFAHLE-VXKWHMMOSA-N
XLogP4.07
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-[(3R,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-benzyl-N-methyl-2-[(3R,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide (CID 26743151) is N-benzyl-N-methyl-2-[(3R,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-benzyl-N-methyl-2-[(3R,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-benzyl-N-methyl-2-[(3R,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide is CN(Cc1ccccc1)C(=O)C[C@@H]1CCNC[C@@H]1Cc1cc(COc2ccccc2)on1.
What is the InChIKey of N-benzyl-N-methyl-2-[(3R,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide?
The InChIKey is OIOQKNXZSFAHLE-VXKWHMMOSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-29(18-20-8-4-2-5-9-20)26(30)15-21-12-13-27-17-22(21)14-23-16-25(32-28-23)19-31-24-10-6-3-7-11-24/h2-11,16,21-22,27H,12-15,17-19H2,1H3/t21-,22-/m0/s1.
What are the key properties of N-benzyl-N-methyl-2-[(3R,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide?
N-benzyl-N-methyl-2-[(3R,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide has a molecular weight of 433.55 g/mol, XLogP of 4.07, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-[(3R,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 26743151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).