2-[(3R,4R)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide

C26H37N3O3 — CID 162796815

IUPAC2-[(3R,4R)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)C[C@H]2CCNC[C@@H]2Cc2cc(CC3CCCCC3)on2)cc1
InChIInChI=1S/C26H37N3O3/c1-31-24-9-7-20(8-10-24)17-28-26(30)15-21-11-12-27-18-22(21)14-23-16-25(32-29-23)13-19-5-3-2-4-6-19/h7-10,16,19,21-22,27H,2-6,11-15,17-18H2,1H3,(H,28,30)/t21-,22+/m1/s1
InChIKeyGYFPCISJAYLARE-YADHBBJMSA-N
MW439.60 g/mol
LogP4.28
Rot. Bonds9

About 2-[(3R,4R)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide

2-[(3R,4R)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 162796815) has the molecular formula C26H37N3O3 and a molecular weight of 439.60 g/mol. Its IUPAC name is 2-[(3R,4R)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(3R,4R)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID162796815
Molecular FormulaC26H37N3O3
Molecular Weight439.60 g/mol
Exact Mass439.28
IUPAC Name2-[(3R,4R)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)C[C@H]2CCNC[C@@H]2Cc2cc(CC3CCCCC3)on2)cc1
InChIInChI=1S/C26H37N3O3/c1-31-24-9-7-20(8-10-24)17-28-26(30)15-21-11-12-27-18-22(21)14-23-16-25(32-29-23)13-19-5-3-2-4-6-19/h7-10,16,19,21-22,27H,2-6,11-15,17-18H2,1H3,(H,28,30)/t21-,22+/m1/s1
InChIKeyGYFPCISJAYLARE-YADHBBJMSA-N
XLogP4.28
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.60
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[(3R,4S)-3-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
CID 40777425
2-[(3S,4S)-3-[[5-(4-tert-butylphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 162917916
N-[(3,4-dimethoxyphenyl)methyl]-2-[(3S,4S)-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
CID 162796751
2-[(3R,4S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-cyclopropylacetamide
CID 26743248
2-[3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-cyclopropylacetamide
CID 74506282
2-[(3R,4S)-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 26743054
N-[(3,4-dimethoxyphenyl)methyl]-2-[(3R,4R)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
CID 162796057
N-(1,3-benzodioxol-5-ylmethyl)-2-[3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide
CID 74506073
N-[(4-fluorophenyl)methyl]-2-[3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide
CID 74734699
N-cyclohexyl-2-[(3S,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
CID 162796842
2-[(3R,4S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 26743258
2-[(3S,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 162796753

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[(3R,4R)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide (CID 162796815) is 2-[(3R,4R)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(3R,4R)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[(3R,4R)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)C[C@H]2CCNC[C@@H]2Cc2cc(CC3CCCCC3)on2)cc1.
What is the InChIKey of 2-[(3R,4R)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is GYFPCISJAYLARE-YADHBBJMSA-N. The full InChI is InChI=1S/C26H37N3O3/c1-31-24-9-7-20(8-10-24)17-28-26(30)15-21-11-12-27-18-22(21)14-23-16-25(32-29-23)13-19-5-3-2-4-6-19/h7-10,16,19,21-22,27H,2-6,11-15,17-18H2,1H3,(H,28,30)/t21-,22+/m1/s1.
What are the key properties of 2-[(3R,4R)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
2-[(3R,4R)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 439.60 g/mol, XLogP of 4.28, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 162796815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).