[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(1H-indol-5-yl)methanone

C20H22N4O2 — CID 122260397

IUPAC[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(1H-indol-5-yl)methanone
SMILESCc1cc(OC2CCCN(C(=O)c3ccc4[nH]ccc4c3)C2)nc(C)n1
InChIInChI=1S/C20H22N4O2/c1-13-10-19(23-14(2)22-13)26-17-4-3-9-24(12-17)20(25)16-5-6-18-15(11-16)7-8-21-18/h5-8,10-11,17,21H,3-4,9,12H2,1-2H3
InChIKeyQLKNHNIJFLXCLX-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.26
Rot. Bonds3

About [3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(1H-indol-5-yl)methanone

[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(1H-indol-5-yl)methanone (PubChem CID 122260397) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is [3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(1H-indol-5-yl)methanone.

Molecular Properties

Compound Name[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(1H-indol-5-yl)methanone
PubChem CID122260397
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(1H-indol-5-yl)methanone
SMILESCc1cc(OC2CCCN(C(=O)c3ccc4[nH]ccc4c3)C2)nc(C)n1
InChIInChI=1S/C20H22N4O2/c1-13-10-19(23-14(2)22-13)26-17-4-3-9-24(12-17)20(25)16-5-6-18-15(11-16)7-8-21-18/h5-8,10-11,17,21H,3-4,9,12H2,1-2H3
InChIKeyQLKNHNIJFLXCLX-UHFFFAOYSA-N
XLogP3.26
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chlorophenyl)-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122260264
[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-pyridin-4-ylmethanone
CID 122260367
[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-quinoxalin-6-ylmethanone
CID 122260430
[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-thiophen-3-ylmethanone
CID 122260371
[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
CID 122260327
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-indol-5-yl)methanone
CID 122259448
[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 122260177
4-[1-(1H-indole-5-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256871
[3-(2,6-dimethylpyrimidin-4-yl)oxypyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 126852395
1H-indol-6-yl-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 100627672
(2-chloro-5-nitrophenyl)-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122260280
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 122260312

Frequently Asked Questions

What is the IUPAC name of [3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(1H-indol-5-yl)methanone?
The IUPAC name of [3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(1H-indol-5-yl)methanone (CID 122260397) is [3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(1H-indol-5-yl)methanone.
What is the SMILES notation for [3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(1H-indol-5-yl)methanone?
The canonical SMILES for [3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(1H-indol-5-yl)methanone is Cc1cc(OC2CCCN(C(=O)c3ccc4[nH]ccc4c3)C2)nc(C)n1.
What is the InChIKey of [3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(1H-indol-5-yl)methanone?
The InChIKey is QLKNHNIJFLXCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-13-10-19(23-14(2)22-13)26-17-4-3-9-24(12-17)20(25)16-5-6-18-15(11-16)7-8-21-18/h5-8,10-11,17,21H,3-4,9,12H2,1-2H3.
What are the key properties of [3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(1H-indol-5-yl)methanone?
[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(1H-indol-5-yl)methanone has a molecular weight of 350.42 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(1H-indol-5-yl)methanone is sourced from PubChem (CID 122260397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).