[2-[[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone

C24H34N4O4 — CID 42856393

IUPAC[2-[[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(OC)c(CN2CCN(Cc3nc(C(=O)N4CCC(C)CC4)co3)CC2)c1
InChIInChI=1S/C24H34N4O4/c1-18-6-8-28(9-7-18)24(29)21-17-32-23(25-21)16-27-12-10-26(11-13-27)15-19-14-20(30-2)4-5-22(19)31-3/h4-5,14,17-18H,6-13,15-16H2,1-3H3
InChIKeyUVYIBEPIDSQHLJ-UHFFFAOYSA-N
MW442.56 g/mol
LogP2.88
Rot. Bonds7

About [2-[[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone

[2-[[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 42856393) has the molecular formula C24H34N4O4 and a molecular weight of 442.56 g/mol. Its IUPAC name is [2-[[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-[[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID42856393
Molecular FormulaC24H34N4O4
Molecular Weight442.56 g/mol
Exact Mass442.26
IUPAC Name[2-[[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(OC)c(CN2CCN(Cc3nc(C(=O)N4CCC(C)CC4)co3)CC2)c1
InChIInChI=1S/C24H34N4O4/c1-18-6-8-28(9-7-18)24(29)21-17-32-23(25-21)16-27-12-10-26(11-13-27)15-19-14-20(30-2)4-5-22(19)31-3/h4-5,14,17-18H,6-13,15-16H2,1-3H3
InChIKeyUVYIBEPIDSQHLJ-UHFFFAOYSA-N
XLogP2.88
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-[2-[[(2,5-dimethoxyphenyl)methyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carbonyl]piperazin-1-yl]ethanone
CID 42835014
[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 37279771
[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 37280226
[2-[[butan-2-yl-[(2,5-dimethoxyphenyl)methyl]amino]methyl]-1,3-oxazol-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 42834397
(3,4-dimethoxyphenyl)-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1131708
[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
CID 112844802
2-[[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-N-(3,4-dimethylphenyl)-1,3-oxazole-4-carboxamide
CID 42856161
[2-[[4-(2-hydroxy-3-phenylmethoxypropyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 42855959
[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
1-benzofuran-2-yl-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 37351016
[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 45229409
[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(1H-indazol-7-yl)methanone
CID 37278337

Frequently Asked Questions

What is the IUPAC name of [2-[[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-[[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone (CID 42856393) is [2-[[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-[[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-[[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone is COc1ccc(OC)c(CN2CCN(Cc3nc(C(=O)N4CCC(C)CC4)co3)CC2)c1.
What is the InChIKey of [2-[[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is UVYIBEPIDSQHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O4/c1-18-6-8-28(9-7-18)24(29)21-17-32-23(25-21)16-27-12-10-26(11-13-27)15-19-14-20(30-2)4-5-22(19)31-3/h4-5,14,17-18H,6-13,15-16H2,1-3H3.
What are the key properties of [2-[[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
[2-[[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 442.56 g/mol, XLogP of 2.88, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 42856393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).