[2-[[4-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone

C28H42N6O4 — CID 92986697

IUPAC[2-[[4-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3coc(CN4CCN(C[C@H](O)CN5CCCCC5)CC4)n3)CC2)c1
InChIInChI=1S/C28H42N6O4/c1-37-25-7-5-6-23(18-25)33-14-16-34(17-15-33)28(36)26-22-38-27(29-26)21-32-12-10-31(11-13-32)20-24(35)19-30-8-3-2-4-9-30/h5-7,18,22,24,35H,2-4,8-17,19-21H2,1H3/t24-/m1/s1
InChIKeyPDWSLAFTIJXSIA-XMMPIXPASA-N
MW526.68 g/mol
LogP1.61
Rot. Bonds9

About [2-[[4-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone

[2-[[4-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 92986697) has the molecular formula C28H42N6O4 and a molecular weight of 526.68 g/mol. Its IUPAC name is [2-[[4-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-[[4-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID92986697
Molecular FormulaC28H42N6O4
Molecular Weight526.68 g/mol
Exact Mass526.33
IUPAC Name[2-[[4-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3coc(CN4CCN(C[C@H](O)CN5CCCCC5)CC4)n3)CC2)c1
InChIInChI=1S/C28H42N6O4/c1-37-25-7-5-6-23(18-25)33-14-16-34(17-15-33)28(36)26-22-38-27(29-26)21-32-12-10-31(11-13-32)20-24(35)19-30-8-3-2-4-9-30/h5-7,18,22,24,35H,2-4,8-17,19-21H2,1H3/t24-/m1/s1
InChIKeyPDWSLAFTIJXSIA-XMMPIXPASA-N
XLogP1.61
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.68
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [2-[[4-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[2-[[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 42856040
[2-[[4-[2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 42856039
[2-[[4-[(2R)-2-hydroxyhexyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 92986674
[4-(4-fluorophenyl)piperazin-1-yl]-[2-[[4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 46051435
[4-(4-fluorophenyl)piperazin-1-yl]-[2-[[4-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 92986639
[4-(2,6-dimethylphenyl)piperazin-1-yl]-[2-[[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 46051474
[4-(2-ethylphenyl)piperazin-1-yl]-[2-[[4-[(2S)-2-hydroxypentyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 92986721
[4-(4-fluorophenyl)piperazin-1-yl]-[2-[[4-[(2S)-2-hydroxy-3-methylbutyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 92986635
[4-(2-ethylphenyl)piperazin-1-yl]-[2-[[4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 46051481
azocan-1-yl-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-4-yl]methanone
CID 42509334
[4-(2,6-dimethylphenyl)piperazin-1-yl]-[2-[[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 92986701
(4-cyclohexylpiperazin-1-yl)-[2-[[4-(2-hydroxy-3-morpholin-4-ylpropyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 42856036

Frequently Asked Questions

What is the IUPAC name of [2-[[4-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [2-[[4-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (CID 92986697) is [2-[[4-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-[[4-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-[[4-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is COc1cccc(N2CCN(C(=O)c3coc(CN4CCN(C[C@H](O)CN5CCCCC5)CC4)n3)CC2)c1.
What is the InChIKey of [2-[[4-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is PDWSLAFTIJXSIA-XMMPIXPASA-N. The full InChI is InChI=1S/C28H42N6O4/c1-37-25-7-5-6-23(18-25)33-14-16-34(17-15-33)28(36)26-22-38-27(29-26)21-32-12-10-31(11-13-32)20-24(35)19-30-8-3-2-4-9-30/h5-7,18,22,24,35H,2-4,8-17,19-21H2,1H3/t24-/m1/s1.
What are the key properties of [2-[[4-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
[2-[[4-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 526.68 g/mol, XLogP of 1.61, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 92986697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).