(2R)-1-(2,3-dihydroindol-1-yl)-2-(4-hydroxypiperidin-1-yl)-2-phenylethanone

C21H24N2O2 — CID 124605958

IUPAC(2R)-1-(2,3-dihydroindol-1-yl)-2-(4-hydroxypiperidin-1-yl)-2-phenylethanone
SMILESO=C([C@@H](c1ccccc1)N1CCC(O)CC1)N1CCc2ccccc21
InChIInChI=1S/C21H24N2O2/c24-18-11-13-22(14-12-18)20(17-7-2-1-3-8-17)21(25)23-15-10-16-6-4-5-9-19(16)23/h1-9,18,20,24H,10-15H2/t20-/m1/s1
InChIKeyFIHNIDJYFCODIL-HXUWFJFHSA-N
MW336.43 g/mol
LogP2.77
Rot. Bonds3

About (2R)-1-(2,3-dihydroindol-1-yl)-2-(4-hydroxypiperidin-1-yl)-2-phenylethanone

(2R)-1-(2,3-dihydroindol-1-yl)-2-(4-hydroxypiperidin-1-yl)-2-phenylethanone (PubChem CID 124605958) has the molecular formula C21H24N2O2 and a molecular weight of 336.43 g/mol. Its IUPAC name is (2R)-1-(2,3-dihydroindol-1-yl)-2-(4-hydroxypiperidin-1-yl)-2-phenylethanone.

Molecular Properties

Compound Name(2R)-1-(2,3-dihydroindol-1-yl)-2-(4-hydroxypiperidin-1-yl)-2-phenylethanone
PubChem CID124605958
Molecular FormulaC21H24N2O2
Molecular Weight336.43 g/mol
Exact Mass336.18
IUPAC Name(2R)-1-(2,3-dihydroindol-1-yl)-2-(4-hydroxypiperidin-1-yl)-2-phenylethanone
SMILESO=C([C@@H](c1ccccc1)N1CCC(O)CC1)N1CCc2ccccc21
InChIInChI=1S/C21H24N2O2/c24-18-11-13-22(14-12-18)20(17-7-2-1-3-8-17)21(25)23-15-10-16-6-4-5-9-19(16)23/h1-9,18,20,24H,10-15H2/t20-/m1/s1
InChIKeyFIHNIDJYFCODIL-HXUWFJFHSA-N
XLogP2.77
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxypiperidin-1-yl)propan-1-one
CID 78786405
2-(4-hydroxypiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone
CID 43013126
(2R)-1-(2,3-dihydroindol-1-yl)-2-phenylpropan-1-one
CID 134943813
2-amino-1-(2,3-dihydroindol-1-yl)-2-phenylethanone
CID 20930646
2-(4-hydroxypiperidin-1-yl)-1-morpholin-4-yl-2-phenylethanone
CID 42886214
ethane;1-(4-hydroxypiperidin-1-yl)-1-phenylpropan-2-one
CID 143630259
(2S)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide
CID 97184970
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride
CID 119906465
(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-2-phenylpentan-1-one
CID 135054054
benzhydryl-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]azanium
CID 9105990
1,3-bis(3,4-dihydro-2H-quinolin-1-yl)-2-phenylpropane-1,3-dione
CID 3397137
2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 20806588

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,3-dihydroindol-1-yl)-2-(4-hydroxypiperidin-1-yl)-2-phenylethanone?
The IUPAC name of (2R)-1-(2,3-dihydroindol-1-yl)-2-(4-hydroxypiperidin-1-yl)-2-phenylethanone (CID 124605958) is (2R)-1-(2,3-dihydroindol-1-yl)-2-(4-hydroxypiperidin-1-yl)-2-phenylethanone.
What is the SMILES notation for (2R)-1-(2,3-dihydroindol-1-yl)-2-(4-hydroxypiperidin-1-yl)-2-phenylethanone?
The canonical SMILES for (2R)-1-(2,3-dihydroindol-1-yl)-2-(4-hydroxypiperidin-1-yl)-2-phenylethanone is O=C([C@@H](c1ccccc1)N1CCC(O)CC1)N1CCc2ccccc21.
What is the InChIKey of (2R)-1-(2,3-dihydroindol-1-yl)-2-(4-hydroxypiperidin-1-yl)-2-phenylethanone?
The InChIKey is FIHNIDJYFCODIL-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H24N2O2/c24-18-11-13-22(14-12-18)20(17-7-2-1-3-8-17)21(25)23-15-10-16-6-4-5-9-19(16)23/h1-9,18,20,24H,10-15H2/t20-/m1/s1.
What are the key properties of (2R)-1-(2,3-dihydroindol-1-yl)-2-(4-hydroxypiperidin-1-yl)-2-phenylethanone?
(2R)-1-(2,3-dihydroindol-1-yl)-2-(4-hydroxypiperidin-1-yl)-2-phenylethanone has a molecular weight of 336.43 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,3-dihydroindol-1-yl)-2-(4-hydroxypiperidin-1-yl)-2-phenylethanone is sourced from PubChem (CID 124605958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).