2-indol-1-yl-1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone

C21H23N3O2 — CID 71799538

IUPAC2-indol-1-yl-1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone
SMILESCc1cccc(OC2CCN(C(=O)Cn3ccc4ccccc43)CC2)n1
InChIInChI=1S/C21H23N3O2/c1-16-5-4-8-20(22-16)26-18-10-13-23(14-11-18)21(25)15-24-12-9-17-6-2-3-7-19(17)24/h2-9,12,18H,10-11,13-15H2,1H3
InChIKeyUKOLMCLEGFTSMJ-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.41
Rot. Bonds4

About 2-indol-1-yl-1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone

2-indol-1-yl-1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone (PubChem CID 71799538) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-indol-1-yl-1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-indol-1-yl-1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone
PubChem CID71799538
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-indol-1-yl-1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone
SMILESCc1cccc(OC2CCN(C(=O)Cn3ccc4ccccc43)CC2)n1
InChIInChI=1S/C21H23N3O2/c1-16-5-4-8-20(22-16)26-18-10-13-23(14-11-18)21(25)15-24-12-9-17-6-2-3-7-19(17)24/h2-9,12,18H,10-11,13-15H2,1H3
InChIKeyUKOLMCLEGFTSMJ-UHFFFAOYSA-N
XLogP3.41
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-indol-1-yl-1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone?
The IUPAC name of 2-indol-1-yl-1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone (CID 71799538) is 2-indol-1-yl-1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-indol-1-yl-1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone?
The canonical SMILES for 2-indol-1-yl-1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone is Cc1cccc(OC2CCN(C(=O)Cn3ccc4ccccc43)CC2)n1.
What is the InChIKey of 2-indol-1-yl-1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone?
The InChIKey is UKOLMCLEGFTSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-16-5-4-8-20(22-16)26-18-10-13-23(14-11-18)21(25)15-24-12-9-17-6-2-3-7-19(17)24/h2-9,12,18H,10-11,13-15H2,1H3.
What are the key properties of 2-indol-1-yl-1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone?
2-indol-1-yl-1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone has a molecular weight of 349.43 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indol-1-yl-1-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone is sourced from PubChem (CID 71799538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).