2-cyclopentyl-1-(3,9-diazabicyclo[4.2.1]nonan-9-yl)-2-methylpropan-1-one

C16H28N2O — CID 128886391

IUPAC2-cyclopentyl-1-(3,9-diazabicyclo[4.2.1]nonan-9-yl)-2-methylpropan-1-one
SMILESCC(C)(C(=O)N1C2CCNCC1CC2)C1CCCC1
InChIInChI=1S/C16H28N2O/c1-16(2,12-5-3-4-6-12)15(19)18-13-7-8-14(18)11-17-10-9-13/h12-14,17H,3-11H2,1-2H3
InChIKeySYCRNKNTOMQYOE-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.56
Rot. Bonds2

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

2-cyclopentyl-1-(3,9-diazabicyclo[4.2.1]nonan-9-yl)-2-methylpropan-1-one (PubChem CID 128886391) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-cyclopentyl-1-(3,9-diazabicyclo[4.2.1]nonan-9-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-cyclopentyl-1-(3,9-diazabicyclo[4.2.1]nonan-9-yl)-2-methylpropan-1-one
PubChem CID128886391
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-cyclopentyl-1-(3,9-diazabicyclo[4.2.1]nonan-9-yl)-2-methylpropan-1-one
SMILESCC(C)(C(=O)N1C2CCNCC1CC2)C1CCCC1
InChIInChI=1S/C16H28N2O/c1-16(2,12-5-3-4-6-12)15(19)18-13-7-8-14(18)11-17-10-9-13/h12-14,17H,3-11H2,1-2H3
InChIKeySYCRNKNTOMQYOE-UHFFFAOYSA-N
XLogP2.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,9-diazabicyclo[4.2.1]nonan-9-yl)ethanone
CID 59172058
tert-butyl (1R)-3,9-diazabicyclo[4.2.1]nonane-9-carboxylate
CID 118214329
1-(3,9-diazabicyclo[4.2.1]nonan-9-yl)-2-(methylamino)ethanone;hydrochloride
CID 131107513
2-methyl-1-piperazin-1-yl-2-piperidin-3-ylpropan-1-one
CID 83031141
2-cyclopentyl-2-methyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one
CID 120994540
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one
CID 102726190
1-(3-hydroxy-3-methylazetidin-1-yl)-2-methyl-2-piperidin-3-ylpropan-1-one
CID 107219375
1-cyclopentyl-3-methyl-3-piperidin-3-ylbutan-2-one
CID 116611207
3-methyl-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 102780306
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one
CID 112625086
1-(1,1-dioxo-1,4-thiazepan-4-yl)-2-methyl-2-piperidin-3-ylpropan-1-one
CID 103884985
1-(2,6-dimethylthiomorpholin-4-yl)-2-methyl-2-piperidin-3-ylpropan-1-one
CID 83032479

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(3,9-diazabicyclo[4.2.1]nonan-9-yl)-2-methylpropan-1-one?
The IUPAC name of 2-cyclopentyl-1-(3,9-diazabicyclo[4.2.1]nonan-9-yl)-2-methylpropan-1-one (CID 128886391) is 2-cyclopentyl-1-(3,9-diazabicyclo[4.2.1]nonan-9-yl)-2-methylpropan-1-one.
What is the SMILES notation for 2-cyclopentyl-1-(3,9-diazabicyclo[4.2.1]nonan-9-yl)-2-methylpropan-1-one?
The canonical SMILES for 2-cyclopentyl-1-(3,9-diazabicyclo[4.2.1]nonan-9-yl)-2-methylpropan-1-one is CC(C)(C(=O)N1C2CCNCC1CC2)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-1-(3,9-diazabicyclo[4.2.1]nonan-9-yl)-2-methylpropan-1-one?
The InChIKey is SYCRNKNTOMQYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-16(2,12-5-3-4-6-12)15(19)18-13-7-8-14(18)11-17-10-9-13/h12-14,17H,3-11H2,1-2H3.
What are the key properties of 2-cyclopentyl-1-(3,9-diazabicyclo[4.2.1]nonan-9-yl)-2-methylpropan-1-one?
2-cyclopentyl-1-(3,9-diazabicyclo[4.2.1]nonan-9-yl)-2-methylpropan-1-one has a molecular weight of 264.41 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(3,9-diazabicyclo[4.2.1]nonan-9-yl)-2-methylpropan-1-one is sourced from PubChem (CID 128886391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).