2-(azetidin-3-yl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)acetamide

C14H25N3O — CID 65471237

IUPAC2-(azetidin-3-yl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)acetamide
SMILESCN1C2CCCC1CC(NC(=O)CC1CNC1)C2
InChIInChI=1S/C14H25N3O/c1-17-12-3-2-4-13(17)7-11(6-12)16-14(18)5-10-8-15-9-10/h10-13,15H,2-9H2,1H3,(H,16,18)
InChIKeyBGWVBZWFZVIKKU-UHFFFAOYSA-N
MW251.37 g/mol
LogP0.73
Rot. Bonds3

About 2-(azetidin-3-yl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)acetamide

2-(azetidin-3-yl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)acetamide (PubChem CID 65471237) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)acetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)acetamide
PubChem CID65471237
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-(azetidin-3-yl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)acetamide
SMILESCN1C2CCCC1CC(NC(=O)CC1CNC1)C2
InChIInChI=1S/C14H25N3O/c1-17-12-3-2-4-13(17)7-11(6-12)16-14(18)5-10-8-15-9-10/h10-13,15H,2-9H2,1H3,(H,16,18)
InChIKeyBGWVBZWFZVIKKU-UHFFFAOYSA-N
XLogP0.73
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-morpholin-2-ylacetamide
CID 66426636
2-(azetidin-3-yl)-N-(3-methylcyclobutyl)acetamide
CID 115739761
3-[[2-(azetidin-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 64610824
2-(azetidin-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 64618765
[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 70078455
methyl N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamate
CID 115661200
N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrrolidine-3-carboxamide
CID 65470856
6-amino-4,4-dimethyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)hexanamide
CID 65472003
2-(azetidin-3-yl)-N-cyclopropylacetamide;2-(1-methylazetidin-3-yl)acetic acid;hydrochloride
CID 160590199
2-cyclobutyl-N-[(3R)-pyrrolidin-3-yl]acetamide
CID 103165051
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-sulfanylacetamide
CID 130663104
N-(4-aminocyclohexyl)-2-(azetidin-3-yl)acetamide
CID 64612464

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)acetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)acetamide (CID 65471237) is 2-(azetidin-3-yl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)acetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)acetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)acetamide is CN1C2CCCC1CC(NC(=O)CC1CNC1)C2.
What is the InChIKey of 2-(azetidin-3-yl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)acetamide?
The InChIKey is BGWVBZWFZVIKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-17-12-3-2-4-13(17)7-11(6-12)16-14(18)5-10-8-15-9-10/h10-13,15H,2-9H2,1H3,(H,16,18).
What are the key properties of 2-(azetidin-3-yl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)acetamide?
2-(azetidin-3-yl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)acetamide has a molecular weight of 251.37 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)acetamide is sourced from PubChem (CID 65471237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).