2-[(1R,5S)-6-[(1-ethylindol-6-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N,N-dimethylacetamide

C22H32N4O — CID 133125689

IUPAC2-[(1R,5S)-6-[(1-ethylindol-6-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N,N-dimethylacetamide
SMILESCCn1ccc2ccc(CN3C[C@@H]4CC[C@H]3CN(CC(=O)N(C)C)C4)cc21
InChIInChI=1S/C22H32N4O/c1-4-25-10-9-19-7-5-17(11-21(19)25)13-26-14-18-6-8-20(26)15-24(12-18)16-22(27)23(2)3/h5,7,9-11,18,20H,4,6,8,12-16H2,1-3H3/t18-,20+/m1/s1
InChIKeyLRKFYTWGQZTSQU-QUCCMNQESA-N
MW368.53 g/mol
LogP2.65
Rot. Bonds5

About 2-[(1R,5S)-6-[(1-ethylindol-6-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N,N-dimethylacetamide

2-[(1R,5S)-6-[(1-ethylindol-6-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N,N-dimethylacetamide (PubChem CID 133125689) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is 2-[(1R,5S)-6-[(1-ethylindol-6-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(1R,5S)-6-[(1-ethylindol-6-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N,N-dimethylacetamide
PubChem CID133125689
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC Name2-[(1R,5S)-6-[(1-ethylindol-6-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N,N-dimethylacetamide
SMILESCCn1ccc2ccc(CN3C[C@@H]4CC[C@H]3CN(CC(=O)N(C)C)C4)cc21
InChIInChI=1S/C22H32N4O/c1-4-25-10-9-19-7-5-17(11-21(19)25)13-26-14-18-6-8-20(26)15-24(12-18)16-22(27)23(2)3/h5,7,9-11,18,20H,4,6,8,12-16H2,1-3H3/t18-,20+/m1/s1
InChIKeyLRKFYTWGQZTSQU-QUCCMNQESA-N
XLogP2.65
TPSA31.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1R,5S)-6-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N,N-dimethylacetamide
CID 133129324
2-[(1R,5S)-6-[(5-cyano-1-ethylpyrrol-3-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N,N-dimethylacetamide
CID 133116300
N,N-dimethyl-2-[(1R,5S)-6-[(5-propylfuran-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide
CID 133109768
(1R,5S)-6-[(1-ethylindol-5-yl)methyl]-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane
CID 164641183
N,N-dimethyl-2-[(1R,5S)-6-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide
CID 133132156
N,N-dimethyl-2-[(1R,5S)-6-(2-phenylmethoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide
CID 133132144
2-[(1S,5R)-6-[(E)-3-(4-fluorophenyl)prop-2-enyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N,N-dimethylacetamide
CID 72902185
N,N-dimethyl-2-(6-methylindol-1-yl)acetamide
CID 116546688
(1S,5S)-N,N-dimethyl-6-[(3-pyrazol-1-ylphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 133133632
N,N-dimethyl-2-[(1S,5R)-6-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide
CID 72914987
N,N-dimethyl-2-[(1R,5S)-6-[1-(4-methylphenyl)cyclopropanecarbonyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide
CID 133114022
N-[(1-ethylindol-6-yl)methyl]-N-methyl-1-[(3R)-oxolan-3-yl]methanamine
CID 164640158

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,5S)-6-[(1-ethylindol-6-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[(1R,5S)-6-[(1-ethylindol-6-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N,N-dimethylacetamide (CID 133125689) is 2-[(1R,5S)-6-[(1-ethylindol-6-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(1R,5S)-6-[(1-ethylindol-6-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(1R,5S)-6-[(1-ethylindol-6-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N,N-dimethylacetamide is CCn1ccc2ccc(CN3C[C@@H]4CC[C@H]3CN(CC(=O)N(C)C)C4)cc21.
What is the InChIKey of 2-[(1R,5S)-6-[(1-ethylindol-6-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N,N-dimethylacetamide?
The InChIKey is LRKFYTWGQZTSQU-QUCCMNQESA-N. The full InChI is InChI=1S/C22H32N4O/c1-4-25-10-9-19-7-5-17(11-21(19)25)13-26-14-18-6-8-20(26)15-24(12-18)16-22(27)23(2)3/h5,7,9-11,18,20H,4,6,8,12-16H2,1-3H3/t18-,20+/m1/s1.
What are the key properties of 2-[(1R,5S)-6-[(1-ethylindol-6-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N,N-dimethylacetamide?
2-[(1R,5S)-6-[(1-ethylindol-6-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N,N-dimethylacetamide has a molecular weight of 368.53 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,5S)-6-[(1-ethylindol-6-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 133125689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).