2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(2,4-dimethylpiperazin-1-yl)ethanone

C15H27N3O — CID 103814616

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(2,4-dimethylpiperazin-1-yl)ethanone
SMILESCC1CN(C)CCN1C(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C15H27N3O/c1-11-10-17(2)5-6-18(11)15(19)9-12-7-13-3-4-14(8-12)16-13/h11-14,16H,3-10H2,1-2H3
InChIKeyKKYPUVXBJPEPSR-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.07
Rot. Bonds2

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(2,4-dimethylpiperazin-1-yl)ethanone

2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(2,4-dimethylpiperazin-1-yl)ethanone (PubChem CID 103814616) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(2,4-dimethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(2,4-dimethylpiperazin-1-yl)ethanone
PubChem CID103814616
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(2,4-dimethylpiperazin-1-yl)ethanone
SMILESCC1CN(C)CCN1C(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C15H27N3O/c1-11-10-17(2)5-6-18(11)15(19)9-12-7-13-3-4-14(8-12)16-13/h11-14,16H,3-10H2,1-2H3
InChIKeyKKYPUVXBJPEPSR-UHFFFAOYSA-N
XLogP1.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
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-(8-azabicyclo[3.2.1]octan-3-yl)-1-(2,4-dimethylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(2,4-dimethylpiperazin-1-yl)ethanone (CID 103814616) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(2,4-dimethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(2,4-dimethylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(2,4-dimethylpiperazin-1-yl)ethanone is CC1CN(C)CCN1C(=O)CC1CC2CCC(C1)N2.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(2,4-dimethylpiperazin-1-yl)ethanone?
The InChIKey is KKYPUVXBJPEPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-11-10-17(2)5-6-18(11)15(19)9-12-7-13-3-4-14(8-12)16-13/h11-14,16H,3-10H2,1-2H3.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(2,4-dimethylpiperazin-1-yl)ethanone?
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(2,4-dimethylpiperazin-1-yl)ethanone has a molecular weight of 265.40 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-(8-azabicyclo[3.2.1]octan-3-yl)-1-(2,4-dimethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 103814616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).