2-(4-methylphenoxy)-1-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone

C22H29N3O4 — CID 91908114

IUPAC2-(4-methylphenoxy)-1-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone
SMILESCc1ccc(OCC(=O)N2CCC(Cc3nc(C4CCOCC4)no3)CC2)cc1
InChIInChI=1S/C22H29N3O4/c1-16-2-4-19(5-3-16)28-15-21(26)25-10-6-17(7-11-25)14-20-23-22(24-29-20)18-8-12-27-13-9-18/h2-5,17-18H,6-15H2,1H3
InChIKeyLCRXTMXDUNNAEP-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.13
Rot. Bonds6

About 2-(4-methylphenoxy)-1-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone

2-(4-methylphenoxy)-1-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone (PubChem CID 91908114) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-1-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methylphenoxy)-1-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone
PubChem CID91908114
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC Name2-(4-methylphenoxy)-1-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone
SMILESCc1ccc(OCC(=O)N2CCC(Cc3nc(C4CCOCC4)no3)CC2)cc1
InChIInChI=1S/C22H29N3O4/c1-16-2-4-19(5-3-16)28-15-21(26)25-10-6-17(7-11-25)14-20-23-22(24-29-20)18-8-12-27-13-9-18/h2-5,17-18H,6-15H2,1H3
InChIKeyLCRXTMXDUNNAEP-UHFFFAOYSA-N
XLogP3.13
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-methylphenoxy)-1-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

2-(4-methoxyphenoxy)-1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone
CID 91916671
3-cyclopentyl-1-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]propan-1-one
CID 91918900
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
2-(4-methylphenoxy)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone
CID 110289470
1-[4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 91920130
1-[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 120929707
1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 91888761
2-(4-fluorophenoxy)-1-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 91918800
1-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 90493104
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 110423701
N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide
CID 39701615
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(4-methylphenoxy)ethanone;hydrochloride
CID 119483775

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-1-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-methylphenoxy)-1-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone (CID 91908114) is 2-(4-methylphenoxy)-1-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methylphenoxy)-1-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-methylphenoxy)-1-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone is Cc1ccc(OCC(=O)N2CCC(Cc3nc(C4CCOCC4)no3)CC2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-1-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone?
The InChIKey is LCRXTMXDUNNAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-16-2-4-19(5-3-16)28-15-21(26)25-10-6-17(7-11-25)14-20-23-22(24-29-20)18-8-12-27-13-9-18/h2-5,17-18H,6-15H2,1H3.
What are the key properties of 2-(4-methylphenoxy)-1-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone?
2-(4-methylphenoxy)-1-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone has a molecular weight of 399.49 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-1-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 91908114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).