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

C24H33N3O3 — CID 162796842

IUPACN-cyclohexyl-2-[(3S,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
SMILESO=C(C[C@@H]1CCNC[C@H]1Cc1cc(COc2ccccc2)on1)NC1CCCCC1
InChIInChI=1S/C24H33N3O3/c28-24(26-20-7-3-1-4-8-20)14-18-11-12-25-16-19(18)13-21-15-23(30-27-21)17-29-22-9-5-2-6-10-22/h2,5-6,9-10,15,18-20,25H,1,3-4,7-8,11-14,16-17H2,(H,26,28)/t18-,19+/m0/s1
InChIKeyASTPKPFMDZMENQ-RBUKOAKNSA-N
MW411.55 g/mol
LogP3.86
Rot. Bonds8

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

N-cyclohexyl-2-[(3S,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide (PubChem CID 162796842) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-cyclohexyl-2-[(3S,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(3S,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
PubChem CID162796842
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC NameN-cyclohexyl-2-[(3S,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
SMILESO=C(C[C@@H]1CCNC[C@H]1Cc1cc(COc2ccccc2)on1)NC1CCCCC1
InChIInChI=1S/C24H33N3O3/c28-24(26-20-7-3-1-4-8-20)14-18-11-12-25-16-19(18)13-21-15-23(30-27-21)17-29-22-9-5-2-6-10-22/h2,5-6,9-10,15,18-20,25H,1,3-4,7-8,11-14,16-17H2,(H,26,28)/t18-,19+/m0/s1
InChIKeyASTPKPFMDZMENQ-RBUKOAKNSA-N
XLogP3.86
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-(3-hydroxyphenyl)-2-[3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
CID 74506244
N-cyclohexyl-2-[3-[[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
CID 163168593
methyl 3-[[(3R,4S)-4-[2-(cyclohexylamino)-2-oxoethyl]piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylate
CID 26743060
N-cyclohexyl-2-[(3S,4S)-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
CID 162796833
2-[(3S,4S)-3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-cyclopropylacetamide
CID 162796843
2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-cyclopropylacetamide
CID 26742965
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]ethanone
CID 74506223
2-[(3R,4R)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 162796815
2-[(3R,4S)-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 26743054
N-benzyl-2-[(3S,4S)-3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
CID 162978112

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(3S,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[(3S,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide (CID 162796842) is N-cyclohexyl-2-[(3S,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[(3S,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[(3S,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide is O=C(C[C@@H]1CCNC[C@H]1Cc1cc(COc2ccccc2)on1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[(3S,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide?
The InChIKey is ASTPKPFMDZMENQ-RBUKOAKNSA-N. The full InChI is InChI=1S/C24H33N3O3/c28-24(26-20-7-3-1-4-8-20)14-18-11-12-25-16-19(18)13-21-15-23(30-27-21)17-29-22-9-5-2-6-10-22/h2,5-6,9-10,15,18-20,25H,1,3-4,7-8,11-14,16-17H2,(H,26,28)/t18-,19+/m0/s1.
What are the key properties of N-cyclohexyl-2-[(3S,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide?
N-cyclohexyl-2-[(3S,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide has a molecular weight of 411.55 g/mol, XLogP of 3.86, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(3S,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 162796842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).