3,8-diazabicyclo[3.2.1]octan-8-yl(piperidin-1-yl)methanone

C12H21N3O — CID 175882005

IUPAC3,8-diazabicyclo[3.2.1]octan-8-yl(piperidin-1-yl)methanone
SMILESO=C(N1CCCCC1)N1C2CCC1CNC2
InChIInChI=1S/C12H21N3O/c16-12(14-6-2-1-3-7-14)15-10-4-5-11(15)9-13-8-10/h10-11,13H,1-9H2
InChIKeySQEDMGGNEHDRAV-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.03
Rot. Bonds

About 3,8-diazabicyclo[3.2.1]octan-8-yl(piperidin-1-yl)methanone

3,8-diazabicyclo[3.2.1]octan-8-yl(piperidin-1-yl)methanone (PubChem CID 175882005) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3,8-diazabicyclo[3.2.1]octan-8-yl(piperidin-1-yl)methanone.

Molecular Properties

Compound Name3,8-diazabicyclo[3.2.1]octan-8-yl(piperidin-1-yl)methanone
PubChem CID175882005
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3,8-diazabicyclo[3.2.1]octan-8-yl(piperidin-1-yl)methanone
SMILESO=C(N1CCCCC1)N1C2CCC1CNC2
InChIInChI=1S/C12H21N3O/c16-12(14-6-2-1-3-7-14)15-10-4-5-11(15)9-13-8-10/h10-11,13H,1-9H2
InChIKeySQEDMGGNEHDRAV-UHFFFAOYSA-N
XLogP1.03
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,8-diazabicyclo[3.2.1]octan-8-yl(piperidin-1-yl)methanone?
The IUPAC name of 3,8-diazabicyclo[3.2.1]octan-8-yl(piperidin-1-yl)methanone (CID 175882005) is 3,8-diazabicyclo[3.2.1]octan-8-yl(piperidin-1-yl)methanone.
What is the SMILES notation for 3,8-diazabicyclo[3.2.1]octan-8-yl(piperidin-1-yl)methanone?
The canonical SMILES for 3,8-diazabicyclo[3.2.1]octan-8-yl(piperidin-1-yl)methanone is O=C(N1CCCCC1)N1C2CCC1CNC2.
What is the InChIKey of 3,8-diazabicyclo[3.2.1]octan-8-yl(piperidin-1-yl)methanone?
The InChIKey is SQEDMGGNEHDRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c16-12(14-6-2-1-3-7-14)15-10-4-5-11(15)9-13-8-10/h10-11,13H,1-9H2.
What are the key properties of 3,8-diazabicyclo[3.2.1]octan-8-yl(piperidin-1-yl)methanone?
3,8-diazabicyclo[3.2.1]octan-8-yl(piperidin-1-yl)methanone has a molecular weight of 223.32 g/mol, XLogP of 1.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-diazabicyclo[3.2.1]octan-8-yl(piperidin-1-yl)methanone is sourced from PubChem (CID 175882005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).