1-methyl-4-[1-(oxan-3-ylmethyl)piperidin-4-yl]oxyindole

C20H28N2O2 — CID 126952123

IUPAC1-methyl-4-[1-(oxan-3-ylmethyl)piperidin-4-yl]oxyindole
SMILESCn1ccc2c(OC3CCN(CC4CCCOC4)CC3)cccc21
InChIInChI=1S/C20H28N2O2/c1-21-10-9-18-19(21)5-2-6-20(18)24-17-7-11-22(12-8-17)14-16-4-3-13-23-15-16/h2,5-6,9-10,16-17H,3-4,7-8,11-15H2,1H3
InChIKeyMOQBRPMWHKBZLC-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.45
Rot. Bonds4

About 1-methyl-4-[1-(oxan-3-ylmethyl)piperidin-4-yl]oxyindole

1-methyl-4-[1-(oxan-3-ylmethyl)piperidin-4-yl]oxyindole (PubChem CID 126952123) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-methyl-4-[1-(oxan-3-ylmethyl)piperidin-4-yl]oxyindole.

Molecular Properties

Compound Name1-methyl-4-[1-(oxan-3-ylmethyl)piperidin-4-yl]oxyindole
PubChem CID126952123
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name1-methyl-4-[1-(oxan-3-ylmethyl)piperidin-4-yl]oxyindole
SMILESCn1ccc2c(OC3CCN(CC4CCCOC4)CC3)cccc21
InChIInChI=1S/C20H28N2O2/c1-21-10-9-18-19(21)5-2-6-20(18)24-17-7-11-22(12-8-17)14-16-4-3-13-23-15-16/h2,5-6,9-10,16-17H,3-4,7-8,11-15H2,1H3
InChIKeyMOQBRPMWHKBZLC-UHFFFAOYSA-N
XLogP3.45
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-methyl-4-[1-(oxan-3-ylmethyl)piperidin-4-yl]oxyindole 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-methyl-4-(1-methylpiperidin-4-yl)oxyindole
CID 126952178
3-[[4-(1-methylindol-4-yl)oxypiperidin-1-yl]methyl]oxolan-3-ol
CID 126952174
4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonylmorpholine
CID 126951892
4-(2-methylphenoxy)-1-[[(3S)-oxolan-3-yl]methyl]piperidine
CID 95862588
4-(4-fluorophenoxy)-1-(oxan-3-ylmethyl)piperidine
CID 131899608
[4-(1-methylindol-4-yl)oxypiperidin-1-yl]-(oxan-4-yl)methanone
CID 126951816
2-[[4-(1-methylindol-4-yl)oxypiperidin-1-yl]methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 126951986
4-[1-(1,4-dioxepan-6-ylmethyl)piperidin-4-yl]oxy-1H-indole
CID 126951709
3-[[4-(1-methylindol-4-yl)oxypiperidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
CID 126951991
3-[[4-(1-methylindol-4-yl)oxypiperidin-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 126952047
2-[[4-(1-methylindol-4-yl)oxypiperidin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 126952067
4-[1-(oxolan-2-ylmethyl)piperidin-4-yl]oxy-1-(2,2,2-trifluoroethyl)indole
CID 126952690

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-(oxan-3-ylmethyl)piperidin-4-yl]oxyindole?
The IUPAC name of 1-methyl-4-[1-(oxan-3-ylmethyl)piperidin-4-yl]oxyindole (CID 126952123) is 1-methyl-4-[1-(oxan-3-ylmethyl)piperidin-4-yl]oxyindole.
What is the SMILES notation for 1-methyl-4-[1-(oxan-3-ylmethyl)piperidin-4-yl]oxyindole?
The canonical SMILES for 1-methyl-4-[1-(oxan-3-ylmethyl)piperidin-4-yl]oxyindole is Cn1ccc2c(OC3CCN(CC4CCCOC4)CC3)cccc21.
What is the InChIKey of 1-methyl-4-[1-(oxan-3-ylmethyl)piperidin-4-yl]oxyindole?
The InChIKey is MOQBRPMWHKBZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-21-10-9-18-19(21)5-2-6-20(18)24-17-7-11-22(12-8-17)14-16-4-3-13-23-15-16/h2,5-6,9-10,16-17H,3-4,7-8,11-15H2,1H3.
What are the key properties of 1-methyl-4-[1-(oxan-3-ylmethyl)piperidin-4-yl]oxyindole?
1-methyl-4-[1-(oxan-3-ylmethyl)piperidin-4-yl]oxyindole has a molecular weight of 328.46 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-(oxan-3-ylmethyl)piperidin-4-yl]oxyindole is sourced from PubChem (CID 126952123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).