1-(4-methylpiperidin-1-yl)-2-[2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethanone

C23H25N3O4 — CID 50753324

IUPAC1-(4-methylpiperidin-1-yl)-2-[2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethanone
SMILESCC1CCN(C(=O)COc2ccccc2-c2noc(COc3ccccc3)n2)CC1
InChIInChI=1S/C23H25N3O4/c1-17-11-13-26(14-12-17)22(27)16-29-20-10-6-5-9-19(20)23-24-21(30-25-23)15-28-18-7-3-2-4-8-18/h2-10,17H,11-16H2,1H3
InChIKeyKGAXPBYRWLGCRM-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.95
Rot. Bonds7

About 1-(4-methylpiperidin-1-yl)-2-[2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethanone

1-(4-methylpiperidin-1-yl)-2-[2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethanone (PubChem CID 50753324) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-[2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethanone.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-2-[2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethanone
PubChem CID50753324
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name1-(4-methylpiperidin-1-yl)-2-[2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethanone
SMILESCC1CCN(C(=O)COc2ccccc2-c2noc(COc3ccccc3)n2)CC1
InChIInChI=1S/C23H25N3O4/c1-17-11-13-26(14-12-17)22(27)16-29-20-10-6-5-9-19(20)23-24-21(30-25-23)15-28-18-7-3-2-4-8-18/h2-10,17H,11-16H2,1H3
InChIKeyKGAXPBYRWLGCRM-UHFFFAOYSA-N
XLogP3.95
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(4-methylpiperidin-1-yl)-2-[2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethanone with MolForge

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Related Compounds

1-(azepan-1-yl)-2-[2-[5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]ethanone
CID 50753390
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 5130333
1-(4-methylpiperidin-1-yl)-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 100761827
2-[2-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 51662168
1-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-phenoxyethanone
CID 37088185
2-(2-ethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 78760389
1-[4-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carbonyl]piperazin-1-yl]-2-phenoxyethanone
CID 50827749
2-[2-[5-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 45032694
3-phenyl-5-[(2-phenylphenoxy)methyl]-1,2,4-oxadiazole
CID 4795932
2-(4-fluorophenoxy)-1-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone
CID 90641193
N,N-dimethyl-1-[2-(2-phenylphenoxy)acetyl]piperidine-4-carboxamide
CID 78779545
1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone
CID 55950590

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethanone?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethanone (CID 50753324) is 1-(4-methylpiperidin-1-yl)-2-[2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethanone.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-2-[2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethanone?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-[2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethanone is CC1CCN(C(=O)COc2ccccc2-c2noc(COc3ccccc3)n2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-2-[2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethanone?
The InChIKey is KGAXPBYRWLGCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-17-11-13-26(14-12-17)22(27)16-29-20-10-6-5-9-19(20)23-24-21(30-25-23)15-28-18-7-3-2-4-8-18/h2-10,17H,11-16H2,1H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-2-[2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethanone?
1-(4-methylpiperidin-1-yl)-2-[2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethanone has a molecular weight of 407.47 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-2-[2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethanone is sourced from PubChem (CID 50753324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).