1-(2,3-dihydroindol-1-yl)-2-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]ethanone

C21H24N2O2 — CID 163306632

IUPAC1-(2,3-dihydroindol-1-yl)-2-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]ethanone
SMILESO=C(CN1CC[C@@H](c2ccccc2)[C@H](O)C1)N1CCc2ccccc21
InChIInChI=1S/C21H24N2O2/c24-20-14-22(12-11-18(20)16-6-2-1-3-7-16)15-21(25)23-13-10-17-8-4-5-9-19(17)23/h1-9,18,20,24H,10-15H2/t18-,20+/m0/s1
InChIKeyUFSYNPGMEJVONV-AZUAARDMSA-N
MW336.43 g/mol
LogP2.43
Rot. Bonds3

About 1-(2,3-dihydroindol-1-yl)-2-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]ethanone

1-(2,3-dihydroindol-1-yl)-2-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]ethanone (PubChem CID 163306632) has the molecular formula C21H24N2O2 and a molecular weight of 336.43 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]ethanone
PubChem CID163306632
Molecular FormulaC21H24N2O2
Molecular Weight336.43 g/mol
Exact Mass336.18
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]ethanone
SMILESO=C(CN1CC[C@@H](c2ccccc2)[C@H](O)C1)N1CCc2ccccc21
InChIInChI=1S/C21H24N2O2/c24-20-14-22(12-11-18(20)16-6-2-1-3-7-16)15-21(25)23-13-10-17-8-4-5-9-19(17)23/h1-9,18,20,24H,10-15H2/t18-,20+/m0/s1
InChIKeyUFSYNPGMEJVONV-AZUAARDMSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,3-dihydroindol-1-yl)-2-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]ethanone with MolForge

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-(3-hydroxyazetidin-1-yl)ethanone
CID 63282171
2-[(3S)-3-aminopyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119933655
2-[(3R)-3-aminopyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119905160
1-(2,3-dihydroindol-1-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 55064419
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxypiperidin-1-yl)ethanone
CID 26518777
2-[[(3S,4R)-1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-hydroxypyrrolidin-3-yl]-methylamino]acetic acid
CID 129346397
2-[[(3R,4R)-1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-hydroxypyrrolidin-3-yl]-methylamino]acetic acid
CID 129346396
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-hydroxypiperidin-1-yl)ethanone
CID 60645184
1-(2,3-dihydroindol-1-yl)-2-(2,6-dimethylmorpholin-4-yl)ethanone
CID 78790849
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2S)-2-phenylmorpholin-4-yl]ethanone
CID 36732041
1-(2,3-dihydroindol-1-yl)-2-(3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 171326862
1-(2,3-dihydroindol-1-yl)-2-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
CID 119927826

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]ethanone (CID 163306632) is 1-(2,3-dihydroindol-1-yl)-2-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]ethanone is O=C(CN1CC[C@@H](c2ccccc2)[C@H](O)C1)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]ethanone?
The InChIKey is UFSYNPGMEJVONV-AZUAARDMSA-N. The full InChI is InChI=1S/C21H24N2O2/c24-20-14-22(12-11-18(20)16-6-2-1-3-7-16)15-21(25)23-13-10-17-8-4-5-9-19(17)23/h1-9,18,20,24H,10-15H2/t18-,20+/m0/s1.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]ethanone?
1-(2,3-dihydroindol-1-yl)-2-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]ethanone has a molecular weight of 336.43 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]ethanone is sourced from PubChem (CID 163306632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).