3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-1-piperazin-1-ylpropan-1-one

C14H25N3O — CID 120981963

IUPAC3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-1-piperazin-1-ylpropan-1-one
SMILESCC1(C)C2CN(CCC(=O)N3CCNCC3)CC21
InChIInChI=1S/C14H25N3O/c1-14(2)11-9-16(10-12(11)14)6-3-13(18)17-7-4-15-5-8-17/h11-12,15H,3-10H2,1-2H3
InChIKeyKREPJJQMZFXIIE-UHFFFAOYSA-N
MW251.37 g/mol
LogP0.40
Rot. Bonds3

About 3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-1-piperazin-1-ylpropan-1-one

3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-1-piperazin-1-ylpropan-1-one (PubChem CID 120981963) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-1-piperazin-1-ylpropan-1-one
PubChem CID120981963
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-1-piperazin-1-ylpropan-1-one
SMILESCC1(C)C2CN(CCC(=O)N3CCNCC3)CC21
InChIInChI=1S/C14H25N3O/c1-14(2)11-9-16(10-12(11)14)6-3-13(18)17-7-4-15-5-8-17/h11-12,15H,3-10H2,1-2H3
InChIKeyKREPJJQMZFXIIE-UHFFFAOYSA-N
XLogP0.40
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-1-piperazin-1-ylpropan-1-one (CID 120981963) is 3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-1-piperazin-1-ylpropan-1-one is CC1(C)C2CN(CCC(=O)N3CCNCC3)CC21.
What is the InChIKey of 3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-1-piperazin-1-ylpropan-1-one?
The InChIKey is KREPJJQMZFXIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-14(2)11-9-16(10-12(11)14)6-3-13(18)17-7-4-15-5-8-17/h11-12,15H,3-10H2,1-2H3.
What are the key properties of 3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-1-piperazin-1-ylpropan-1-one?
3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-1-piperazin-1-ylpropan-1-one has a molecular weight of 251.37 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 120981963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).