[4-(1-methylindol-4-yl)oxypiperidin-1-yl]-(oxan-4-yl)methanone

C20H26N2O3 — CID 126951816

IUPAC[4-(1-methylindol-4-yl)oxypiperidin-1-yl]-(oxan-4-yl)methanone
SMILESCn1ccc2c(OC3CCN(C(=O)C4CCOCC4)CC3)cccc21
InChIInChI=1S/C20H26N2O3/c1-21-10-7-17-18(21)3-2-4-19(17)25-16-5-11-22(12-6-16)20(23)15-8-13-24-14-9-15/h2-4,7,10,15-16H,5-6,8-9,11-14H2,1H3
InChIKeyPJGLMYWCCVPGCD-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.97
Rot. Bonds3

About [4-(1-methylindol-4-yl)oxypiperidin-1-yl]-(oxan-4-yl)methanone

[4-(1-methylindol-4-yl)oxypiperidin-1-yl]-(oxan-4-yl)methanone (PubChem CID 126951816) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is [4-(1-methylindol-4-yl)oxypiperidin-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[4-(1-methylindol-4-yl)oxypiperidin-1-yl]-(oxan-4-yl)methanone
PubChem CID126951816
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name[4-(1-methylindol-4-yl)oxypiperidin-1-yl]-(oxan-4-yl)methanone
SMILESCn1ccc2c(OC3CCN(C(=O)C4CCOCC4)CC3)cccc21
InChIInChI=1S/C20H26N2O3/c1-21-10-7-17-18(21)3-2-4-19(17)25-16-5-11-22(12-6-16)20(23)15-8-13-24-14-9-15/h2-4,7,10,15-16H,5-6,8-9,11-14H2,1H3
InChIKeyPJGLMYWCCVPGCD-UHFFFAOYSA-N
XLogP2.97
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(1-methylindol-4-yl)oxypiperidin-1-yl]-(oxan-4-yl)methanone 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

4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonylmorpholine
CID 126951892
[4-(1H-indol-4-yloxy)piperidin-1-yl]-(oxan-4-yl)methanone
CID 126951435
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
2H-benzotriazol-5-yl-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]methanone
CID 126951864
2-[4-[1-(cyclopent-3-ene-1-carbonyl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953365
1-methyl-4-[1-(oxan-3-ylmethyl)piperidin-4-yl]oxyindole
CID 126952123
4-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]oxy-1-methylindole
CID 126951893
3-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]-1,2,5-thiadiazole
CID 126951949
3-[[4-(1-methylindol-4-yl)oxypiperidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
CID 126951991
(2,5-dimethylpyrazol-3-yl)-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methanone
CID 126953150
2-[[4-(1-methylindol-4-yl)oxypiperidin-1-yl]methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 126951986

Frequently Asked Questions

What is the IUPAC name of [4-(1-methylindol-4-yl)oxypiperidin-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [4-(1-methylindol-4-yl)oxypiperidin-1-yl]-(oxan-4-yl)methanone (CID 126951816) is [4-(1-methylindol-4-yl)oxypiperidin-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [4-(1-methylindol-4-yl)oxypiperidin-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [4-(1-methylindol-4-yl)oxypiperidin-1-yl]-(oxan-4-yl)methanone is Cn1ccc2c(OC3CCN(C(=O)C4CCOCC4)CC3)cccc21.
What is the InChIKey of [4-(1-methylindol-4-yl)oxypiperidin-1-yl]-(oxan-4-yl)methanone?
The InChIKey is PJGLMYWCCVPGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-21-10-7-17-18(21)3-2-4-19(17)25-16-5-11-22(12-6-16)20(23)15-8-13-24-14-9-15/h2-4,7,10,15-16H,5-6,8-9,11-14H2,1H3.
What are the key properties of [4-(1-methylindol-4-yl)oxypiperidin-1-yl]-(oxan-4-yl)methanone?
[4-(1-methylindol-4-yl)oxypiperidin-1-yl]-(oxan-4-yl)methanone has a molecular weight of 342.44 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylindol-4-yl)oxypiperidin-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 126951816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).