(4R,5R)-7-[(1-ethylindol-4-yl)methyl]-7-azaspiro[4.5]decan-4-ol

C20H28N2O — CID 165417589

IUPAC(4R,5R)-7-[(1-ethylindol-4-yl)methyl]-7-azaspiro[4.5]decan-4-ol
SMILESCCn1ccc2c(CN3CCC[C@]4(CCC[C@H]4O)C3)cccc21
InChIInChI=1S/C20H28N2O/c1-2-22-13-9-17-16(6-3-7-18(17)22)14-21-12-5-11-20(15-21)10-4-8-19(20)23/h3,6-7,9,13,19,23H,2,4-5,8,10-12,14-15H2,1H3/t19-,20-/m1/s1
InChIKeyWSTQNBAAHHFAST-WOJBJXKFSA-N
MW312.46 g/mol
LogP3.79
Rot. Bonds3

About (4R,5R)-7-[(1-ethylindol-4-yl)methyl]-7-azaspiro[4.5]decan-4-ol

(4R,5R)-7-[(1-ethylindol-4-yl)methyl]-7-azaspiro[4.5]decan-4-ol (PubChem CID 165417589) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is (4R,5R)-7-[(1-ethylindol-4-yl)methyl]-7-azaspiro[4.5]decan-4-ol.

Molecular Properties

Compound Name(4R,5R)-7-[(1-ethylindol-4-yl)methyl]-7-azaspiro[4.5]decan-4-ol
PubChem CID165417589
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name(4R,5R)-7-[(1-ethylindol-4-yl)methyl]-7-azaspiro[4.5]decan-4-ol
SMILESCCn1ccc2c(CN3CCC[C@]4(CCC[C@H]4O)C3)cccc21
InChIInChI=1S/C20H28N2O/c1-2-22-13-9-17-16(6-3-7-18(17)22)14-21-12-5-11-20(15-21)10-4-8-19(20)23/h3,6-7,9,13,19,23H,2,4-5,8,10-12,14-15H2,1H3/t19-,20-/m1/s1
InChIKeyWSTQNBAAHHFAST-WOJBJXKFSA-N
XLogP3.79
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-1-[(1-ethylindol-4-yl)methyl]-3-(hydroxymethyl)-3-propylpiperidin-4-ol
CID 162626005
(3S,4S)-1-[(1-ethylindol-4-yl)methyl]-3-hydroxy-4-propylpiperidine-4-carboxylic acid
CID 135115999
3-[[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methyl]-1H-pyridin-2-one
CID 165420515
(4R,5R)-7-[(2,6-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol
CID 135091462
4-[(1-ethylindol-4-yl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70712472
(2R)-4-[(1-ethylindol-4-yl)methyl]morpholine-2-carboxylic acid
CID 125435479
(4R,5S)-7-[(4-chlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol
CID 135097855
(4R,5R)-7-[(6-methoxy-2-pyridinyl)methyl]-7-azaspiro[4.5]decan-4-ol
CID 165425706
1-[1-[(1-ethylindol-4-yl)methyl]piperidin-4-yl]piperidine-3-carboxylic acid
CID 74251113
[(3R,4S)-1-[(1-ethylindol-4-yl)methyl]-4-[(4-ethylpiperazin-1-yl)methyl]pyrrolidin-3-yl]methanol
CID 72937814
(4R,5R)-7-[(4-fluoro-2-methoxyphenyl)methyl]-7-azaspiro[4.5]decan-4-ol
CID 165424895
(4R,5S)-7-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-7-azaspiro[4.5]decan-4-ol
CID 165428621

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-7-[(1-ethylindol-4-yl)methyl]-7-azaspiro[4.5]decan-4-ol?
The IUPAC name of (4R,5R)-7-[(1-ethylindol-4-yl)methyl]-7-azaspiro[4.5]decan-4-ol (CID 165417589) is (4R,5R)-7-[(1-ethylindol-4-yl)methyl]-7-azaspiro[4.5]decan-4-ol.
What is the SMILES notation for (4R,5R)-7-[(1-ethylindol-4-yl)methyl]-7-azaspiro[4.5]decan-4-ol?
The canonical SMILES for (4R,5R)-7-[(1-ethylindol-4-yl)methyl]-7-azaspiro[4.5]decan-4-ol is CCn1ccc2c(CN3CCC[C@]4(CCC[C@H]4O)C3)cccc21.
What is the InChIKey of (4R,5R)-7-[(1-ethylindol-4-yl)methyl]-7-azaspiro[4.5]decan-4-ol?
The InChIKey is WSTQNBAAHHFAST-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H28N2O/c1-2-22-13-9-17-16(6-3-7-18(17)22)14-21-12-5-11-20(15-21)10-4-8-19(20)23/h3,6-7,9,13,19,23H,2,4-5,8,10-12,14-15H2,1H3/t19-,20-/m1/s1.
What are the key properties of (4R,5R)-7-[(1-ethylindol-4-yl)methyl]-7-azaspiro[4.5]decan-4-ol?
(4R,5R)-7-[(1-ethylindol-4-yl)methyl]-7-azaspiro[4.5]decan-4-ol has a molecular weight of 312.46 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-7-[(1-ethylindol-4-yl)methyl]-7-azaspiro[4.5]decan-4-ol is sourced from PubChem (CID 165417589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).