2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide

C16H29N3O2 — CID 79119052

IUPAC2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCC(=O)C(NC(=O)CN1CCC2CCC(C1)N2C)C(C)C
InChIInChI=1S/C16H29N3O2/c1-11(2)16(12(3)20)17-15(21)10-19-8-7-13-5-6-14(9-19)18(13)4/h11,13-14,16H,5-10H2,1-4H3,(H,17,21)
InChIKeyQUMVTKYFXJVOBN-UHFFFAOYSA-N
MW295.43 g/mol
LogP0.88
Rot. Bonds5

About 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide

2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide (PubChem CID 79119052) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
PubChem CID79119052
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCC(=O)C(NC(=O)CN1CCC2CCC(C1)N2C)C(C)C
InChIInChI=1S/C16H29N3O2/c1-11(2)16(12(3)20)17-15(21)10-19-8-7-13-5-6-14(9-19)18(13)4/h11,13-14,16H,5-10H2,1-4H3,(H,17,21)
InChIKeyQUMVTKYFXJVOBN-UHFFFAOYSA-N
XLogP0.88
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide with MolForge

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Related Compounds

2-(4-tert-butylpiperidin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 62091095
2-(4-ethyl-3-methylpiperazin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 63611158
2-(3-methoxypiperidin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 113231236
2-[4-(methoxymethyl)piperidin-1-yl]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 63971556
N-(2-methyl-4-oxopentan-3-yl)-2-(4-propylpiperazin-1-yl)acetamide
CID 43234442
N-(2-methyl-4-oxopentan-3-yl)-2-[4-(methylsulfamoylamino)piperidin-1-yl]acetamide
CID 139004941
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 61234449
(2S)-3-methyl-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]butanoic acid
CID 92919551
N-(2-methyl-4-oxopentan-3-yl)-2-(2-methylpyrrolidin-1-yl)acetamide
CID 54882690
2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 102682749
2-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(propan-2-ylamino)butanoic acid
CID 79163904
2-(2,5-dimethylmorpholin-4-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 43793090

Frequently Asked Questions

What is the IUPAC name of 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The IUPAC name of 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide (CID 79119052) is 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide.
What is the SMILES notation for 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The canonical SMILES for 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide is CC(=O)C(NC(=O)CN1CCC2CCC(C1)N2C)C(C)C.
What is the InChIKey of 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The InChIKey is QUMVTKYFXJVOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-11(2)16(12(3)20)17-15(21)10-19-8-7-13-5-6-14(9-19)18(13)4/h11,13-14,16H,5-10H2,1-4H3,(H,17,21).
What are the key properties of 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide has a molecular weight of 295.43 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide is sourced from PubChem (CID 79119052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).