[(3R,5S)-3,5-dimethylpiperidin-1-yl]-(1-pyridin-2-yl-2,3-dihydroindol-2-yl)methanone

C21H25N3O — CID 142690245

IUPAC[(3R,5S)-3,5-dimethylpiperidin-1-yl]-(1-pyridin-2-yl-2,3-dihydroindol-2-yl)methanone
SMILESC[C@@H]1C[C@H](C)CN(C(=O)C2Cc3ccccc3N2c2ccccn2)C1
InChIInChI=1S/C21H25N3O/c1-15-11-16(2)14-23(13-15)21(25)19-12-17-7-3-4-8-18(17)24(19)20-9-5-6-10-22-20/h3-10,15-16,19H,11-14H2,1-2H3/t15-,16+,19?
InChIKeyGBMPCFQDQCGHGI-MCPYQZEQSA-N
MW335.45 g/mol
LogP3.65
Rot. Bonds2

About [(3R,5S)-3,5-dimethylpiperidin-1-yl]-(1-pyridin-2-yl-2,3-dihydroindol-2-yl)methanone

[(3R,5S)-3,5-dimethylpiperidin-1-yl]-(1-pyridin-2-yl-2,3-dihydroindol-2-yl)methanone (PubChem CID 142690245) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is [(3R,5S)-3,5-dimethylpiperidin-1-yl]-(1-pyridin-2-yl-2,3-dihydroindol-2-yl)methanone.

Molecular Properties

Compound Name[(3R,5S)-3,5-dimethylpiperidin-1-yl]-(1-pyridin-2-yl-2,3-dihydroindol-2-yl)methanone
PubChem CID142690245
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name[(3R,5S)-3,5-dimethylpiperidin-1-yl]-(1-pyridin-2-yl-2,3-dihydroindol-2-yl)methanone
SMILESC[C@@H]1C[C@H](C)CN(C(=O)C2Cc3ccccc3N2c2ccccn2)C1
InChIInChI=1S/C21H25N3O/c1-15-11-16(2)14-23(13-15)21(25)19-12-17-7-3-4-8-18(17)24(19)20-9-5-6-10-22-20/h3-10,15-16,19H,11-14H2,1-2H3/t15-,16+,19?
InChIKeyGBMPCFQDQCGHGI-MCPYQZEQSA-N
XLogP3.65
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(3R,5S)-3,5-dimethylpiperidin-1-yl]-(1-pyridin-2-yl-2,3-dihydroindol-2-yl)methanone with MolForge

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Related Compounds

6-[(2S)-2-(3,5-dimethylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]-2-methylpyridazin-3-one
CID 69273338
(3-methylpiperidin-1-yl)-(1-pyridazin-3-yl-2,3-dihydroindol-2-yl)methanone
CID 69275502
[(2S)-5-bromo-1-pyrimidin-2-yl-2,3-dihydroindol-2-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 69273589
[(3S)-3-methylpiperidin-1-yl]-[(2S)-1-(1-methyl-6-sulfanylidenepyridazin-3-yl)-2,3-dihydroindol-2-yl]methanone
CID 87761635
(3-methylpiperidin-1-yl)-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,3-dihydroindol-2-yl]methanone
CID 69272501
3-[2-(3-methylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]-1H-pyridazin-6-one
CID 69273701
[(3R)-3-aminopiperidin-1-yl]-(1-pyrimidin-2-yl-2,3-dihydroindol-2-yl)methanone;dihydrochloride
CID 69273494
[(2R)-5-bromo-1-pyridazin-3-yl-2,3-dihydroindol-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 69273670
[(2S)-1-(1,3-benzoxazol-2-yl)-2,3-dihydroindol-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 11617471
(4-methylcyclohexyl)-[(3R)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone
CID 71682644
2-(2-methyl-2,3-dihydroindol-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 46555829
2,2-dimethyl-1-(2-methyl-2,3-dihydroindol-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propane-1,3-dione
CID 108965609

Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-3,5-dimethylpiperidin-1-yl]-(1-pyridin-2-yl-2,3-dihydroindol-2-yl)methanone?
The IUPAC name of [(3R,5S)-3,5-dimethylpiperidin-1-yl]-(1-pyridin-2-yl-2,3-dihydroindol-2-yl)methanone (CID 142690245) is [(3R,5S)-3,5-dimethylpiperidin-1-yl]-(1-pyridin-2-yl-2,3-dihydroindol-2-yl)methanone.
What is the SMILES notation for [(3R,5S)-3,5-dimethylpiperidin-1-yl]-(1-pyridin-2-yl-2,3-dihydroindol-2-yl)methanone?
The canonical SMILES for [(3R,5S)-3,5-dimethylpiperidin-1-yl]-(1-pyridin-2-yl-2,3-dihydroindol-2-yl)methanone is C[C@@H]1C[C@H](C)CN(C(=O)C2Cc3ccccc3N2c2ccccn2)C1.
What is the InChIKey of [(3R,5S)-3,5-dimethylpiperidin-1-yl]-(1-pyridin-2-yl-2,3-dihydroindol-2-yl)methanone?
The InChIKey is GBMPCFQDQCGHGI-MCPYQZEQSA-N. The full InChI is InChI=1S/C21H25N3O/c1-15-11-16(2)14-23(13-15)21(25)19-12-17-7-3-4-8-18(17)24(19)20-9-5-6-10-22-20/h3-10,15-16,19H,11-14H2,1-2H3/t15-,16+,19?.
What are the key properties of [(3R,5S)-3,5-dimethylpiperidin-1-yl]-(1-pyridin-2-yl-2,3-dihydroindol-2-yl)methanone?
[(3R,5S)-3,5-dimethylpiperidin-1-yl]-(1-pyridin-2-yl-2,3-dihydroindol-2-yl)methanone has a molecular weight of 335.45 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-3,5-dimethylpiperidin-1-yl]-(1-pyridin-2-yl-2,3-dihydroindol-2-yl)methanone is sourced from PubChem (CID 142690245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).