2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone

C22H30N4O3 — CID 46957283

IUPAC2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone
SMILESCc1noc(-c2ccccc2OCC(=O)N2CCCCC2CCN2CCCC2)n1
InChIInChI=1S/C22H30N4O3/c1-17-23-22(29-24-17)19-9-2-3-10-20(19)28-16-21(27)26-14-5-4-8-18(26)11-15-25-12-6-7-13-25/h2-3,9-10,18H,4-8,11-16H2,1H3
InChIKeySQDDZGHKZNQHNZ-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.29
Rot. Bonds7

About 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone

2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone (PubChem CID 46957283) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone
PubChem CID46957283
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone
SMILESCc1noc(-c2ccccc2OCC(=O)N2CCCCC2CCN2CCCC2)n1
InChIInChI=1S/C22H30N4O3/c1-17-23-22(29-24-17)19-9-2-3-10-20(19)28-16-21(27)26-14-5-4-8-18(26)11-15-25-12-6-7-13-25/h2-3,9-10,18H,4-8,11-16H2,1H3
InChIKeySQDDZGHKZNQHNZ-UHFFFAOYSA-N
XLogP3.29
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2S)-2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 29339333
2-(4-methylphenoxy)-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone;hydrochloride
CID 52984439
2-(3-methylphenoxy)-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone
CID 45143493
1-[2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-2-(4-chloro-3,5-dimethylphenoxy)ethanone
CID 17013771
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-1-[(2S)-2-(2-phenylethyl)piperidin-1-yl]ethanone
CID 97074344
2-(4-chlorophenoxy)-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone;hydrochloride
CID 52985039
1-(2-ethylpiperidin-1-yl)-2-(2-methylphenoxy)ethanone
CID 112977253
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-(2-methylphenoxy)ethanone
CID 90564159
1-[2-(cyclohexanecarbonyl)-15-methyl-6-propan-2-yl-2,6,9-triazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-9-yl]-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanone
CID 110064939
1-[2-(hydroxymethyl)azepan-1-yl]-2-(2-methylphenoxy)ethanone
CID 116636020
3-[(2S)-1-[2-(2-methoxyphenoxy)acetyl]piperidin-2-yl]propanoic acid
CID 125148961
2-(4-chloro-3,5-dimethylphenoxy)-1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone;hydrochloride
CID 52985380

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone (CID 46957283) is 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone is Cc1noc(-c2ccccc2OCC(=O)N2CCCCC2CCN2CCCC2)n1.
What is the InChIKey of 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone?
The InChIKey is SQDDZGHKZNQHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-17-23-22(29-24-17)19-9-2-3-10-20(19)28-16-21(27)26-14-5-4-8-18(26)11-15-25-12-6-7-13-25/h2-3,9-10,18H,4-8,11-16H2,1H3.
What are the key properties of 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone?
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone has a molecular weight of 398.51 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 46957283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).