(2,3-dimethyl-1H-indol-6-yl)-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methanone

C22H25N3O2 — CID 46964932

IUPAC(2,3-dimethyl-1H-indol-6-yl)-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methanone
SMILESCc1[nH]c2cc(C(=O)N3CCC(COc4ccccn4)CC3)ccc2c1C
InChIInChI=1S/C22H25N3O2/c1-15-16(2)24-20-13-18(6-7-19(15)20)22(26)25-11-8-17(9-12-25)14-27-21-5-3-4-10-23-21/h3-7,10,13,17,24H,8-9,11-12,14H2,1-2H3
InChIKeyLPTYXJGLHRBMNI-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.11
Rot. Bonds4

About (2,3-dimethyl-1H-indol-6-yl)-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methanone

(2,3-dimethyl-1H-indol-6-yl)-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methanone (PubChem CID 46964932) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is (2,3-dimethyl-1H-indol-6-yl)-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethyl-1H-indol-6-yl)-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methanone
PubChem CID46964932
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name(2,3-dimethyl-1H-indol-6-yl)-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methanone
SMILESCc1[nH]c2cc(C(=O)N3CCC(COc4ccccn4)CC3)ccc2c1C
InChIInChI=1S/C22H25N3O2/c1-15-16(2)24-20-13-18(6-7-19(15)20)22(26)25-11-8-17(9-12-25)14-27-21-5-3-4-10-23-21/h3-7,10,13,17,24H,8-9,11-12,14H2,1-2H3
InChIKeyLPTYXJGLHRBMNI-UHFFFAOYSA-N
XLogP4.11
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze (2,3-dimethyl-1H-indol-6-yl)-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(8-chloro-2-methylquinolin-4-yl)-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methanone
CID 46964935
2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]butanoic acid
CID 167781295
(6-methyl-3-pyridinyl)-[(8R)-5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methanone
CID 124817783
(6-methyl-3-pyridinyl)-[5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methanone
CID 131650235
[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 25100625
(2,3-dimethyl-1H-indol-5-yl)-(4-methylazepan-1-yl)methanone
CID 62046658
(2,3-dimethyl-1H-indol-5-yl)-(3-methoxypyrrolidin-1-yl)methanone
CID 103536921
[4-(phenoxymethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110638786
2-methyl-1-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]propan-2-ol
CID 111543946
5-(4-pyridin-2-yloxypiperidine-1-carbonyl)-1H-pyridin-2-one
CID 71798575
4-methoxy-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidine
CID 166605974
(2,3-dimethyl-1H-indol-5-yl)-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 110106506

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-1H-indol-6-yl)-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (2,3-dimethyl-1H-indol-6-yl)-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methanone (CID 46964932) is (2,3-dimethyl-1H-indol-6-yl)-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,3-dimethyl-1H-indol-6-yl)-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2,3-dimethyl-1H-indol-6-yl)-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methanone is Cc1[nH]c2cc(C(=O)N3CCC(COc4ccccn4)CC3)ccc2c1C.
What is the InChIKey of (2,3-dimethyl-1H-indol-6-yl)-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methanone?
The InChIKey is LPTYXJGLHRBMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-15-16(2)24-20-13-18(6-7-19(15)20)22(26)25-11-8-17(9-12-25)14-27-21-5-3-4-10-23-21/h3-7,10,13,17,24H,8-9,11-12,14H2,1-2H3.
What are the key properties of (2,3-dimethyl-1H-indol-6-yl)-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methanone?
(2,3-dimethyl-1H-indol-6-yl)-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methanone has a molecular weight of 363.46 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyl-1H-indol-6-yl)-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 46964932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).