[(3R,4S)-1-benzyl-3-ethyl-3-hydroxypiperidin-4-yl]-(1H-indol-2-yl)methanone

C23H26N2O2 — CID 639291

IUPAC[(3R,4S)-1-benzyl-3-ethyl-3-hydroxypiperidin-4-yl]-(1H-indol-2-yl)methanone
SMILESCC[C@]1(O)CN(Cc2ccccc2)CC[C@@H]1C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C23H26N2O2/c1-2-23(27)16-25(15-17-8-4-3-5-9-17)13-12-19(23)22(26)21-14-18-10-6-7-11-20(18)24-21/h3-11,14,19,24,27H,2,12-13,15-16H2,1H3/t19-,23+/m1/s1
InChIKeyQGOIDPFFXICKJJ-XXBNENTESA-N
MW362.47 g/mol
LogP4.01
Rot. Bonds5

About [(3R,4S)-1-benzyl-3-ethyl-3-hydroxypiperidin-4-yl]-(1H-indol-2-yl)methanone

[(3R,4S)-1-benzyl-3-ethyl-3-hydroxypiperidin-4-yl]-(1H-indol-2-yl)methanone (PubChem CID 639291) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is [(3R,4S)-1-benzyl-3-ethyl-3-hydroxypiperidin-4-yl]-(1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[(3R,4S)-1-benzyl-3-ethyl-3-hydroxypiperidin-4-yl]-(1H-indol-2-yl)methanone
PubChem CID639291
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name[(3R,4S)-1-benzyl-3-ethyl-3-hydroxypiperidin-4-yl]-(1H-indol-2-yl)methanone
SMILESCC[C@]1(O)CN(Cc2ccccc2)CC[C@@H]1C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C23H26N2O2/c1-2-23(27)16-25(15-17-8-4-3-5-9-17)13-12-19(23)22(26)21-14-18-10-6-7-11-20(18)24-21/h3-11,14,19,24,27H,2,12-13,15-16H2,1H3/t19-,23+/m1/s1
InChIKeyQGOIDPFFXICKJJ-XXBNENTESA-N
XLogP4.01
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(3R,4S)-1-benzyl-3-ethyl-3-hydroxypiperidin-4-yl]-(1H-indol-2-yl)methanone with MolForge

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Related Compounds

N-[(1-benzylpiperidin-4-yl)methyl]-N-propan-2-yl-1H-indole-2-carboxamide
CID 129055481
N-[[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide
CID 140931172
[(2S)-2,4-dibenzylpiperazin-1-yl]-(1H-indol-2-yl)methanone
CID 139757452
N-(1-benzylpiperidin-4-yl)-1H-indol-2-amine
CID 141333919
[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(1H-indol-2-yl)methanone
CID 72840619
ethyl 5-[1-(1-benzylpyrrolidin-3-yl)ethenyl]-1H-indole-2-carboxylate
CID 90097682
(4S)-1-benzyl-3,3-difluoropiperidine-4-carboxylic acid
CID 124674456
N-methyl-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide
CID 159882608
ethane;1H-indole-2-carboxylic acid
CID 91052830
cyclobutyl(1H-indol-2-yl)methanone
CID 129170874
N-[[(3R,4R)-1-benzyl-3-hydroxy-4-methylpiperidin-3-yl]methyl]formamide
CID 167108133
ethyl (4R)-1-benzyl-3,3-difluoropiperidine-4-carboxylate
CID 124709143

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-1-benzyl-3-ethyl-3-hydroxypiperidin-4-yl]-(1H-indol-2-yl)methanone?
The IUPAC name of [(3R,4S)-1-benzyl-3-ethyl-3-hydroxypiperidin-4-yl]-(1H-indol-2-yl)methanone (CID 639291) is [(3R,4S)-1-benzyl-3-ethyl-3-hydroxypiperidin-4-yl]-(1H-indol-2-yl)methanone.
What is the SMILES notation for [(3R,4S)-1-benzyl-3-ethyl-3-hydroxypiperidin-4-yl]-(1H-indol-2-yl)methanone?
The canonical SMILES for [(3R,4S)-1-benzyl-3-ethyl-3-hydroxypiperidin-4-yl]-(1H-indol-2-yl)methanone is CC[C@]1(O)CN(Cc2ccccc2)CC[C@@H]1C(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of [(3R,4S)-1-benzyl-3-ethyl-3-hydroxypiperidin-4-yl]-(1H-indol-2-yl)methanone?
The InChIKey is QGOIDPFFXICKJJ-XXBNENTESA-N. The full InChI is InChI=1S/C23H26N2O2/c1-2-23(27)16-25(15-17-8-4-3-5-9-17)13-12-19(23)22(26)21-14-18-10-6-7-11-20(18)24-21/h3-11,14,19,24,27H,2,12-13,15-16H2,1H3/t19-,23+/m1/s1.
What are the key properties of [(3R,4S)-1-benzyl-3-ethyl-3-hydroxypiperidin-4-yl]-(1H-indol-2-yl)methanone?
[(3R,4S)-1-benzyl-3-ethyl-3-hydroxypiperidin-4-yl]-(1H-indol-2-yl)methanone has a molecular weight of 362.47 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-1-benzyl-3-ethyl-3-hydroxypiperidin-4-yl]-(1H-indol-2-yl)methanone is sourced from PubChem (CID 639291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).