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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Related Compounds

azepan-1-yl-[4-(azetidin-3-yl)piperazin-1-yl]methanone
CID 79152124
(2,6-dimethylpiperazin-1-yl)-piperidin-1-ylmethanone
CID 79155469
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(piperidin-1-yl)methanone
CID 79155027
azepan-1-yl-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)methanone
CID 79151943
[(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-piperidin-1-ylmethanone
CID 46191517
3,7-diazabicyclo[3.3.1]nonan-3-yl(piperidin-1-yl)methanone
CID 54036379
(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-pyrrolidin-1-ylmethanone
CID 79161537
3,9-diazabicyclo[3.3.1]nonane-9-carboxylic acid
CID 69144531
piperidin-1-yl-(3-pyrimidin-5-yl-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 66996021
(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-pyrrolidin-1-ylmethanone
CID 146626222
[3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]-piperidin-1-ylmethanone
CID 66996802
azepan-1-yl(piperazin-1-yl)methanone;hydrochloride
CID 2992287

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).