3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(2-methoxyethyl)cyclopentyl]methanone

C16H28N2O2 — CID 119638958

IUPAC3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(2-methoxyethyl)cyclopentyl]methanone
SMILESCOCCC1(C(=O)N2CCC3CCC(C2)N3)CCCC1
InChIInChI=1S/C16H28N2O2/c1-20-11-9-16(7-2-3-8-16)15(19)18-10-6-13-4-5-14(12-18)17-13/h13-14,17H,2-12H2,1H3
InChIKeyZTLAFEWHKQQZTE-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.94
Rot. Bonds4

About 3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(2-methoxyethyl)cyclopentyl]methanone

3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(2-methoxyethyl)cyclopentyl]methanone (PubChem CID 119638958) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(2-methoxyethyl)cyclopentyl]methanone.

Molecular Properties

Compound Name3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(2-methoxyethyl)cyclopentyl]methanone
PubChem CID119638958
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(2-methoxyethyl)cyclopentyl]methanone
SMILESCOCCC1(C(=O)N2CCC3CCC(C2)N3)CCCC1
InChIInChI=1S/C16H28N2O2/c1-20-11-9-16(7-2-3-8-16)15(19)18-10-6-13-4-5-14(12-18)17-13/h13-14,17H,2-12H2,1H3
InChIKeyZTLAFEWHKQQZTE-UHFFFAOYSA-N
XLogP1.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(2-methoxyethyl)cyclopentyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(2-methoxyethyl)cyclobutyl]methanone;hydrochloride
CID 119638368
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone
CID 97246480
[(3R)-3-aminopyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone
CID 119412473
(3R)-1-[1-(2-methoxyethyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid
CID 124685754
1-[1-(2-methoxyethyl)cyclopentanecarbonyl]piperidine-3-carboxylic acid
CID 102553827
[1-(2-methoxyethyl)cyclopentyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563582
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-methoxypropan-1-one
CID 81483633
(4-aminopiperidin-1-yl)-[1-(2-methoxyethyl)cyclobutyl]methanone;hydrochloride
CID 119375948
[1-(2-methoxyethyl)cyclopentyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119546537
(2S)-4-[1-(2-methoxyethyl)cyclopentanecarbonyl]morpholine-2-carboxylic acid
CID 125149728
3,9-diazabicyclo[4.2.1]nonan-3-yl-(1-methylcyclopropyl)methanone;hydrochloride
CID 119635654
(3R,4R)-4-cyclopropyl-1-[1-(2-methoxyethyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid
CID 120978313

Frequently Asked Questions

What is the IUPAC name of 3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(2-methoxyethyl)cyclopentyl]methanone?
The IUPAC name of 3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(2-methoxyethyl)cyclopentyl]methanone (CID 119638958) is 3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(2-methoxyethyl)cyclopentyl]methanone.
What is the SMILES notation for 3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(2-methoxyethyl)cyclopentyl]methanone?
The canonical SMILES for 3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(2-methoxyethyl)cyclopentyl]methanone is COCCC1(C(=O)N2CCC3CCC(C2)N3)CCCC1.
What is the InChIKey of 3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(2-methoxyethyl)cyclopentyl]methanone?
The InChIKey is ZTLAFEWHKQQZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-20-11-9-16(7-2-3-8-16)15(19)18-10-6-13-4-5-14(12-18)17-13/h13-14,17H,2-12H2,1H3.
What are the key properties of 3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(2-methoxyethyl)cyclopentyl]methanone?
3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(2-methoxyethyl)cyclopentyl]methanone has a molecular weight of 280.41 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(2-methoxyethyl)cyclopentyl]methanone is sourced from PubChem (CID 119638958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).