3,7-diazabicyclo[3.3.1]nonan-3-yl(piperidin-1-yl)methanone

C13H23N3O — CID 54036379

IUPAC3,7-diazabicyclo[3.3.1]nonan-3-yl(piperidin-1-yl)methanone
SMILESO=C(N1CCCCC1)N1CC2CNCC(C2)C1
InChIInChI=1S/C13H23N3O/c17-13(15-4-2-1-3-5-15)16-9-11-6-12(10-16)8-14-7-11/h11-12,14H,1-10H2
InChIKeyLJGHKRYNFCAMCA-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.13
Rot. Bonds

About 3,7-diazabicyclo[3.3.1]nonan-3-yl(piperidin-1-yl)methanone

3,7-diazabicyclo[3.3.1]nonan-3-yl(piperidin-1-yl)methanone (PubChem CID 54036379) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3,7-diazabicyclo[3.3.1]nonan-3-yl(piperidin-1-yl)methanone.

Molecular Properties

Compound Name3,7-diazabicyclo[3.3.1]nonan-3-yl(piperidin-1-yl)methanone
PubChem CID54036379
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3,7-diazabicyclo[3.3.1]nonan-3-yl(piperidin-1-yl)methanone
SMILESO=C(N1CCCCC1)N1CC2CNCC(C2)C1
InChIInChI=1S/C13H23N3O/c17-13(15-4-2-1-3-5-15)16-9-11-6-12(10-16)8-14-7-11/h11-12,14H,1-10H2
InChIKeyLJGHKRYNFCAMCA-UHFFFAOYSA-N
XLogP1.13
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,7-diazabicyclo[3.3.1]nonan-3-yl(piperidin-1-yl)methanone?
The IUPAC name of 3,7-diazabicyclo[3.3.1]nonan-3-yl(piperidin-1-yl)methanone (CID 54036379) is 3,7-diazabicyclo[3.3.1]nonan-3-yl(piperidin-1-yl)methanone.
What is the SMILES notation for 3,7-diazabicyclo[3.3.1]nonan-3-yl(piperidin-1-yl)methanone?
The canonical SMILES for 3,7-diazabicyclo[3.3.1]nonan-3-yl(piperidin-1-yl)methanone is O=C(N1CCCCC1)N1CC2CNCC(C2)C1.
What is the InChIKey of 3,7-diazabicyclo[3.3.1]nonan-3-yl(piperidin-1-yl)methanone?
The InChIKey is LJGHKRYNFCAMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c17-13(15-4-2-1-3-5-15)16-9-11-6-12(10-16)8-14-7-11/h11-12,14H,1-10H2.
What are the key properties of 3,7-diazabicyclo[3.3.1]nonan-3-yl(piperidin-1-yl)methanone?
3,7-diazabicyclo[3.3.1]nonan-3-yl(piperidin-1-yl)methanone has a molecular weight of 237.35 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-diazabicyclo[3.3.1]nonan-3-yl(piperidin-1-yl)methanone is sourced from PubChem (CID 54036379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).