[6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(1,4-dimethylindol-2-yl)methanone

C23H31N3O — CID 78082692

IUPAC[6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(1,4-dimethylindol-2-yl)methanone
SMILESCc1cccc2c1cc(C(=O)N1CC3CCC(C1)N(CC1CCC1)C3)n2C
InChIInChI=1S/C23H31N3O/c1-16-5-3-8-21-20(16)11-22(24(21)2)23(27)26-14-18-9-10-19(15-26)25(13-18)12-17-6-4-7-17/h3,5,8,11,17-19H,4,6-7,9-10,12-15H2,1-2H3
InChIKeyHXISMRYWFQTKBX-UHFFFAOYSA-N
MW365.52 g/mol
LogP3.82
Rot. Bonds3

About [6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(1,4-dimethylindol-2-yl)methanone

[6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(1,4-dimethylindol-2-yl)methanone (PubChem CID 78082692) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is [6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(1,4-dimethylindol-2-yl)methanone.

Molecular Properties

Compound Name[6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(1,4-dimethylindol-2-yl)methanone
PubChem CID78082692
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name[6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(1,4-dimethylindol-2-yl)methanone
SMILESCc1cccc2c1cc(C(=O)N1CC3CCC(C1)N(CC1CCC1)C3)n2C
InChIInChI=1S/C23H31N3O/c1-16-5-3-8-21-20(16)11-22(24(21)2)23(27)26-14-18-9-10-19(15-26)25(13-18)12-17-6-4-7-17/h3,5,8,11,17-19H,4,6-7,9-10,12-15H2,1-2H3
InChIKeyHXISMRYWFQTKBX-UHFFFAOYSA-N
XLogP3.82
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(3,5-dimethylphenyl)methanone
CID 70758888
[(1R,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-imidazo[1,2-a]pyridin-3-ylmethanone
CID 70739059
[(1R,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(3,4-difluorophenyl)methanone
CID 72898811
[(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-naphthalen-1-ylmethanone
CID 133109725
[(1R,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(4-methylsulfonylphenyl)methanone
CID 72879576
[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(1-propan-2-ylpyrrol-2-yl)methanone
CID 70782281
[(1R,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(3-hydroxy-4-methoxyphenyl)methanone
CID 70709635
(1,4-dimethylindol-2-yl)-[(3R,4R)-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 70735316
4-[(1S,5S)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]benzonitrile
CID 133136064
[(1S,5S)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 133114377
[(1R,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone
CID 70714039
(2-chlorophenyl)-[(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
CID 133114270

Frequently Asked Questions

What is the IUPAC name of [6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(1,4-dimethylindol-2-yl)methanone?
The IUPAC name of [6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(1,4-dimethylindol-2-yl)methanone (CID 78082692) is [6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(1,4-dimethylindol-2-yl)methanone.
What is the SMILES notation for [6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(1,4-dimethylindol-2-yl)methanone?
The canonical SMILES for [6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(1,4-dimethylindol-2-yl)methanone is Cc1cccc2c1cc(C(=O)N1CC3CCC(C1)N(CC1CCC1)C3)n2C.
What is the InChIKey of [6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(1,4-dimethylindol-2-yl)methanone?
The InChIKey is HXISMRYWFQTKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-16-5-3-8-21-20(16)11-22(24(21)2)23(27)26-14-18-9-10-19(15-26)25(13-18)12-17-6-4-7-17/h3,5,8,11,17-19H,4,6-7,9-10,12-15H2,1-2H3.
What are the key properties of [6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(1,4-dimethylindol-2-yl)methanone?
[6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(1,4-dimethylindol-2-yl)methanone has a molecular weight of 365.52 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(1,4-dimethylindol-2-yl)methanone is sourced from PubChem (CID 78082692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).