2-[(1R,5S)-8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]benzamide

C14H19N3O — CID 176898478

IUPAC2-[(1R,5S)-8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]benzamide
SMILESCN1[C@@H]2CC[C@H]1CN(c1ccccc1C(N)=O)C2
InChIInChI=1S/C14H19N3O/c1-16-10-6-7-11(16)9-17(8-10)13-5-3-2-4-12(13)14(15)18/h2-5,10-11H,6-9H2,1H3,(H2,15,18)/t10-,11+
InChIKeyCBEOACVQOUMFEU-PHIMTYICSA-N
MW245.33 g/mol
LogP1.07
Rot. Bonds2

About 2-[(1R,5S)-8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]benzamide

2-[(1R,5S)-8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]benzamide (PubChem CID 176898478) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[(1R,5S)-8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]benzamide.

Molecular Properties

Compound Name2-[(1R,5S)-8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]benzamide
PubChem CID176898478
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[(1R,5S)-8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]benzamide
SMILESCN1[C@@H]2CC[C@H]1CN(c1ccccc1C(N)=O)C2
InChIInChI=1S/C14H19N3O/c1-16-10-6-7-11(16)9-17(8-10)13-5-3-2-4-12(13)14(15)18/h2-5,10-11H,6-9H2,1H3,(H2,15,18)/t10-,11+
InChIKeyCBEOACVQOUMFEU-PHIMTYICSA-N
XLogP1.07
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,5S)-8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]benzamide?
The IUPAC name of 2-[(1R,5S)-8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]benzamide (CID 176898478) is 2-[(1R,5S)-8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]benzamide.
What is the SMILES notation for 2-[(1R,5S)-8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]benzamide?
The canonical SMILES for 2-[(1R,5S)-8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]benzamide is CN1[C@@H]2CC[C@H]1CN(c1ccccc1C(N)=O)C2.
What is the InChIKey of 2-[(1R,5S)-8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]benzamide?
The InChIKey is CBEOACVQOUMFEU-PHIMTYICSA-N. The full InChI is InChI=1S/C14H19N3O/c1-16-10-6-7-11(16)9-17(8-10)13-5-3-2-4-12(13)14(15)18/h2-5,10-11H,6-9H2,1H3,(H2,15,18)/t10-,11+.
What are the key properties of 2-[(1R,5S)-8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]benzamide?
2-[(1R,5S)-8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]benzamide has a molecular weight of 245.33 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,5S)-8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]benzamide is sourced from PubChem (CID 176898478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).