2,2-dimethyl-1-[3-(triazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propan-1-one

C14H22N4O — CID 126852236

IUPAC2,2-dimethyl-1-[3-(triazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1C2CCC1CC(n1ccnn1)C2
InChIInChI=1S/C14H22N4O/c1-14(2,3)13(19)18-10-4-5-11(18)9-12(8-10)17-7-6-15-16-17/h6-7,10-12H,4-5,8-9H2,1-3H3
InChIKeyVBPFSUOZESWIEB-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.02
Rot. Bonds1

About 2,2-dimethyl-1-[3-(triazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propan-1-one

2,2-dimethyl-1-[3-(triazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propan-1-one (PubChem CID 126852236) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2,2-dimethyl-1-[3-(triazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[3-(triazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propan-1-one
PubChem CID126852236
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2,2-dimethyl-1-[3-(triazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1C2CCC1CC(n1ccnn1)C2
InChIInChI=1S/C14H22N4O/c1-14(2,3)13(19)18-10-4-5-11(18)9-12(8-10)17-7-6-15-16-17/h6-7,10-12H,4-5,8-9H2,1-3H3
InChIKeyVBPFSUOZESWIEB-UHFFFAOYSA-N
XLogP2.02
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-1-[3-(triazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propan-1-one with MolForge

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Related Compounds

2-Methyl-1-[2-(triazol-1-ylmethyl)piperidin-1-yl]hexan-1-one
CID 121537186
1-(2,2-Dimethylpropyl)-3-[3-(triazol-1-yl)pyrrolidin-1-yl]piperidin-2-one
CID 126824241
2-cyclopropyl-1-[3-(1H-1,2,3-triazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethan-1-one
CID 131701875
1-(2-Methylpiperidin-1-yl)-3-(triazol-1-yl)propan-1-one
CID 42943025
1-(4-(1H-1,2,3-triazol-1-yl)piperidin-1-yl)-2,2-dimethylpropan-1-one
CID 76150913
8-cyclobutanecarbonyl-3-(1H-1,2,3-triazol-1-yl)-8-azabicyclo[3.2.1]octane
CID 126850581
1-{3-[(2S)-2-[(1H-1,2,3-triazol-1-yl)methyl]pyrrolidine-1-carbonyl]azetidin-1-yl}ethan-1-one
CID 120949762
2,2-Dimethyl-1-piperidin-1-yl-3-(triazol-1-yl)propan-1-one
CID 122506897
Tert-butyl 3-(triazol-1-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 172532347
1-Piperidin-1-yl-3-(triazol-1-yl)propan-1-one
CID 176931657
1-[2-(1-Aminoethyl)piperidin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 55169727
1-(3-Pyrrolidin-2-ylpiperidin-1-yl)-3-(triazol-1-yl)propan-1-one
CID 60978672

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[3-(triazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[3-(triazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propan-1-one (CID 126852236) is 2,2-dimethyl-1-[3-(triazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[3-(triazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[3-(triazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propan-1-one is CC(C)(C)C(=O)N1C2CCC1CC(n1ccnn1)C2.
What is the InChIKey of 2,2-dimethyl-1-[3-(triazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propan-1-one?
The InChIKey is VBPFSUOZESWIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-14(2,3)13(19)18-10-4-5-11(18)9-12(8-10)17-7-6-15-16-17/h6-7,10-12H,4-5,8-9H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[3-(triazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propan-1-one?
2,2-dimethyl-1-[3-(triazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propan-1-one has a molecular weight of 262.36 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[3-(triazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propan-1-one is sourced from PubChem (CID 126852236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).