3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]propanamide

C26H32N4O3 — CID 3242260

IUPAC3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]propanamide
SMILESCOc1ccc(-c2noc(CCC(=O)NCC3CCN(Cc4cccc(C)c4)CC3)n2)cc1
InChIInChI=1S/C26H32N4O3/c1-19-4-3-5-21(16-19)18-30-14-12-20(13-15-30)17-27-24(31)10-11-25-28-26(29-33-25)22-6-8-23(32-2)9-7-22/h3-9,16,20H,10-15,17-18H2,1-2H3,(H,27,31)
InChIKeyAPHACUBILSTVKL-UHFFFAOYSA-N
MW448.57 g/mol
LogP4.01
Rot. Bonds9

About 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]propanamide

3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]propanamide (PubChem CID 3242260) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]propanamide.

Molecular Properties

Compound Name3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]propanamide
PubChem CID3242260
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC Name3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]propanamide
SMILESCOc1ccc(-c2noc(CCC(=O)NCC3CCN(Cc4cccc(C)c4)CC3)n2)cc1
InChIInChI=1S/C26H32N4O3/c1-19-4-3-5-21(16-19)18-30-14-12-20(13-15-30)17-27-24(31)10-11-25-28-26(29-33-25)22-6-8-23(32-2)9-7-22/h3-9,16,20H,10-15,17-18H2,1-2H3,(H,27,31)
InChIKeyAPHACUBILSTVKL-UHFFFAOYSA-N
XLogP4.01
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]propanamide
CID 46461382
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 7419913
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]propanamide
CID 78868511
3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]propanamide
CID 49056484
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-3-ylmethyl)propanamide
CID 51079044
3-(3-fluorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]propanamide
CID 60599829
3-(4-methoxyphenyl)-5-[[4-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 55648707
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119513928
N-[[(4S)-1,3-dioxan-4-yl]methyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 97000305
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 120945158
3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 2227018
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 16895674

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]propanamide?
The IUPAC name of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]propanamide (CID 3242260) is 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]propanamide.
What is the SMILES notation for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]propanamide?
The canonical SMILES for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]propanamide is COc1ccc(-c2noc(CCC(=O)NCC3CCN(Cc4cccc(C)c4)CC3)n2)cc1.
What is the InChIKey of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]propanamide?
The InChIKey is APHACUBILSTVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-19-4-3-5-21(16-19)18-30-14-12-20(13-15-30)17-27-24(31)10-11-25-28-26(29-33-25)22-6-8-23(32-2)9-7-22/h3-9,16,20H,10-15,17-18H2,1-2H3,(H,27,31).
What are the key properties of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]propanamide?
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]propanamide has a molecular weight of 448.57 g/mol, XLogP of 4.01, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]propanamide is sourced from PubChem (CID 3242260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).