1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]ethanone

C29H36N4O4 — CID 74506223

IUPAC1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]ethanone
SMILESCOc1ccccc1N1CCN(C(=O)CC2CCNCC2Cc2cc(COc3ccccc3)on2)CC1
InChIInChI=1S/C29H36N4O4/c1-35-28-10-6-5-9-27(28)32-13-15-33(16-14-32)29(34)18-22-11-12-30-20-23(22)17-24-19-26(37-31-24)21-36-25-7-3-2-4-8-25/h2-10,19,22-23,30H,11-18,20-21H2,1H3
InChIKeyFBVRMVWAQQFVDU-UHFFFAOYSA-N
MW504.63 g/mol
LogP3.77
Rot. Bonds9

About 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]ethanone

1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]ethanone (PubChem CID 74506223) has the molecular formula C29H36N4O4 and a molecular weight of 504.63 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]ethanone
PubChem CID74506223
Molecular FormulaC29H36N4O4
Molecular Weight504.63 g/mol
Exact Mass504.27
IUPAC Name1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]ethanone
SMILESCOc1ccccc1N1CCN(C(=O)CC2CCNCC2Cc2cc(COc3ccccc3)on2)CC1
InChIInChI=1S/C29H36N4O4/c1-35-28-10-6-5-9-27(28)32-13-15-33(16-14-32)29(34)18-22-11-12-30-20-23(22)17-24-19-26(37-31-24)21-36-25-7-3-2-4-8-25/h2-10,19,22-23,30H,11-18,20-21H2,1H3
InChIKeyFBVRMVWAQQFVDU-UHFFFAOYSA-N
XLogP3.77
TPSA80.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.63
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 74734822
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-[3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-1-piperidin-1-ylethanone
CID 74506189
1-(4-benzylpiperazin-1-yl)-2-[(3R,4R)-3-[[5-(phenylsulfanylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]ethanone
CID 163096776
2-[(3S,4S)-3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-1-(4-benzylpiperidin-1-yl)ethanone
CID 163134296
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[3-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]ethanone
CID 74734759
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-phenylmethoxyphenoxy)ethanone
CID 4637289
3-[[4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylic acid
CID 74505751
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 119826574
2-[(3R,4S)-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 26743054
[5-[(4-fluorophenoxy)methyl]furan-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 27665248
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-phenoxyacetamide
CID 7494425

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]ethanone?
The IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]ethanone (CID 74506223) is 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]ethanone.
What is the SMILES notation for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]ethanone?
The canonical SMILES for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]ethanone is COc1ccccc1N1CCN(C(=O)CC2CCNCC2Cc2cc(COc3ccccc3)on2)CC1.
What is the InChIKey of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]ethanone?
The InChIKey is FBVRMVWAQQFVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O4/c1-35-28-10-6-5-9-27(28)32-13-15-33(16-14-32)29(34)18-22-11-12-30-20-23(22)17-24-19-26(37-31-24)21-36-25-7-3-2-4-8-25/h2-10,19,22-23,30H,11-18,20-21H2,1H3.
What are the key properties of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]ethanone?
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]ethanone has a molecular weight of 504.63 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]ethanone is sourced from PubChem (CID 74506223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).