[3-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-(1-methylindol-3-yl)methanone

C18H23N3O2 — CID 171512062

IUPAC[3-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-(1-methylindol-3-yl)methanone
SMILESCn1cc(C(=O)N2C3CCC2CN(CCO)C3)c2ccccc21
InChIInChI=1S/C18H23N3O2/c1-19-12-16(15-4-2-3-5-17(15)19)18(23)21-13-6-7-14(21)11-20(10-13)8-9-22/h2-5,12-14,22H,6-11H2,1H3
InChIKeyRDLGFICHGFJXIU-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.46
Rot. Bonds3

About [3-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-(1-methylindol-3-yl)methanone

[3-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-(1-methylindol-3-yl)methanone (PubChem CID 171512062) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is [3-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-(1-methylindol-3-yl)methanone.

Molecular Properties

Compound Name[3-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-(1-methylindol-3-yl)methanone
PubChem CID171512062
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name[3-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-(1-methylindol-3-yl)methanone
SMILESCn1cc(C(=O)N2C3CCC2CN(CCO)C3)c2ccccc21
InChIInChI=1S/C18H23N3O2/c1-19-12-16(15-4-2-3-5-17(15)19)18(23)21-13-6-7-14(21)11-20(10-13)8-9-22/h2-5,12-14,22H,6-11H2,1H3
InChIKeyRDLGFICHGFJXIU-UHFFFAOYSA-N
XLogP1.46
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-(1-methylindol-3-yl)methanone with MolForge

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Related Compounds

(3,4-dihydroxypyrrolidin-1-yl)-(1-methylindol-3-yl)methanone
CID 106671237
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindol-3-yl)methanone
CID 166081487
(1R,2R,4S)-2-ethyl-7-(1-methylindole-3-carbonyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 146039950
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(1-methylindol-3-yl)methanone
CID 9225632
azetidin-1-yl-(1-methylindol-3-yl)methanone
CID 17458441
(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
CID 4207786
2-(1-methylindole-3-carbonyl)cyclopentan-1-one
CID 102291914
2,3-dihydro-1H-inden-2-yl-(1-methylindol-3-yl)methanone
CID 106892551
2-cyclohexyl-1-(1-methylindol-3-yl)ethanone
CID 43161950
1-methylindole-3-carbothioic S-acid
CID 116918837
9-cyclopropyl-1-(1-methylindole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162638778
2-(1-methylindol-3-yl)-1-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 90591018

Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-(1-methylindol-3-yl)methanone?
The IUPAC name of [3-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-(1-methylindol-3-yl)methanone (CID 171512062) is [3-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-(1-methylindol-3-yl)methanone.
What is the SMILES notation for [3-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-(1-methylindol-3-yl)methanone?
The canonical SMILES for [3-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-(1-methylindol-3-yl)methanone is Cn1cc(C(=O)N2C3CCC2CN(CCO)C3)c2ccccc21.
What is the InChIKey of [3-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-(1-methylindol-3-yl)methanone?
The InChIKey is RDLGFICHGFJXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-19-12-16(15-4-2-3-5-17(15)19)18(23)21-13-6-7-14(21)11-20(10-13)8-9-22/h2-5,12-14,22H,6-11H2,1H3.
What are the key properties of [3-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-(1-methylindol-3-yl)methanone?
[3-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-(1-methylindol-3-yl)methanone has a molecular weight of 313.40 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-(1-methylindol-3-yl)methanone is sourced from PubChem (CID 171512062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).