3,9-diazabicyclo[4.2.1]nonan-3-yl(1H-indol-7-yl)methanone

C16H19N3O — CID 115313973

IUPAC3,9-diazabicyclo[4.2.1]nonan-3-yl(1H-indol-7-yl)methanone
SMILESO=C(c1cccc2cc[nH]c12)N1CCC2CCC(C1)N2
InChIInChI=1S/C16H19N3O/c20-16(14-3-1-2-11-6-8-17-15(11)14)19-9-7-12-4-5-13(10-19)18-12/h1-3,6,8,12-13,17-18H,4-5,7,9-10H2
InChIKeyVENBSOPCJYAXLL-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.13
Rot. Bonds1

About 3,9-diazabicyclo[4.2.1]nonan-3-yl(1H-indol-7-yl)methanone

3,9-diazabicyclo[4.2.1]nonan-3-yl(1H-indol-7-yl)methanone (PubChem CID 115313973) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 3,9-diazabicyclo[4.2.1]nonan-3-yl(1H-indol-7-yl)methanone.

Molecular Properties

Compound Name3,9-diazabicyclo[4.2.1]nonan-3-yl(1H-indol-7-yl)methanone
PubChem CID115313973
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name3,9-diazabicyclo[4.2.1]nonan-3-yl(1H-indol-7-yl)methanone
SMILESO=C(c1cccc2cc[nH]c12)N1CCC2CCC(C1)N2
InChIInChI=1S/C16H19N3O/c20-16(14-3-1-2-11-6-8-17-15(11)14)19-9-7-12-4-5-13(10-19)18-12/h1-3,6,8,12-13,17-18H,4-5,7,9-10H2
InChIKeyVENBSOPCJYAXLL-UHFFFAOYSA-N
XLogP2.13
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,9-diazabicyclo[4.2.1]nonan-3-yl(naphthalen-1-yl)methanone;hydrochloride
CID 119636847
(3,4-dihydroxypyrrolidin-1-yl)-(1H-indol-7-yl)methanone
CID 106671264
(4-amino-3-methylpiperidin-1-yl)-(1H-indol-7-yl)methanone
CID 79879645
methyl 1-(1H-indole-7-carbonyl)pyrrolidine-3-carboxylate
CID 79035876
[2-(hydroxymethyl)morpholin-4-yl]-(1H-indol-7-yl)methanone
CID 81208687
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2,3-dichlorophenyl)methanone;hydrochloride
CID 119634833
1H-indol-7-yl-(2-methylthiomorpholin-4-yl)methanone
CID 113244798
1H-indol-7-yl-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]methanone
CID 97235875
(2-bromo-3-methylphenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 107983220
1-(1H-indole-7-carbonyl)piperidin-4-one
CID 112531297
[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone
CID 95866622
(1S,5R)-7-(1H-indole-7-carbonyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 155507493

Frequently Asked Questions

What is the IUPAC name of 3,9-diazabicyclo[4.2.1]nonan-3-yl(1H-indol-7-yl)methanone?
The IUPAC name of 3,9-diazabicyclo[4.2.1]nonan-3-yl(1H-indol-7-yl)methanone (CID 115313973) is 3,9-diazabicyclo[4.2.1]nonan-3-yl(1H-indol-7-yl)methanone.
What is the SMILES notation for 3,9-diazabicyclo[4.2.1]nonan-3-yl(1H-indol-7-yl)methanone?
The canonical SMILES for 3,9-diazabicyclo[4.2.1]nonan-3-yl(1H-indol-7-yl)methanone is O=C(c1cccc2cc[nH]c12)N1CCC2CCC(C1)N2.
What is the InChIKey of 3,9-diazabicyclo[4.2.1]nonan-3-yl(1H-indol-7-yl)methanone?
The InChIKey is VENBSOPCJYAXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c20-16(14-3-1-2-11-6-8-17-15(11)14)19-9-7-12-4-5-13(10-19)18-12/h1-3,6,8,12-13,17-18H,4-5,7,9-10H2.
What are the key properties of 3,9-diazabicyclo[4.2.1]nonan-3-yl(1H-indol-7-yl)methanone?
3,9-diazabicyclo[4.2.1]nonan-3-yl(1H-indol-7-yl)methanone has a molecular weight of 269.35 g/mol, XLogP of 2.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-diazabicyclo[4.2.1]nonan-3-yl(1H-indol-7-yl)methanone is sourced from PubChem (CID 115313973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).