2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1-piperazin-1-ylethanone

C15H27N3O — CID 55226684

IUPAC2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1-piperazin-1-ylethanone
SMILESCN(CC(=O)N1CCNCC1)CC1CC2CCC1C2
InChIInChI=1S/C15H27N3O/c1-17(10-14-9-12-2-3-13(14)8-12)11-15(19)18-6-4-16-5-7-18/h12-14,16H,2-11H2,1H3
InChIKeyNIUFTFFAXCNCBM-UHFFFAOYSA-N
MW265.40 g/mol
LogP0.79
Rot. Bonds4

About 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1-piperazin-1-ylethanone

2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1-piperazin-1-ylethanone (PubChem CID 55226684) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1-piperazin-1-ylethanone
PubChem CID55226684
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1-piperazin-1-ylethanone
SMILESCN(CC(=O)N1CCNCC1)CC1CC2CCC1C2
InChIInChI=1S/C15H27N3O/c1-17(10-14-9-12-2-3-13(14)8-12)11-15(19)18-6-4-16-5-7-18/h12-14,16H,2-11H2,1H3
InChIKeyNIUFTFFAXCNCBM-UHFFFAOYSA-N
XLogP0.79
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N-methylacetamide
CID 55233822
3-[methyl-[(2-methylcyclopropyl)methyl]amino]-1-piperazin-1-ylpropan-1-one
CID 63864805
2-(dimethylamino)-1-piperazin-1-ylethanone
CID 16770302
2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N-(2-hydroxyethyl)acetamide
CID 63683013
2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1-(4-fluorophenyl)ethanone
CID 63682994
2-[2,2-dimethylpropyl(methyl)amino]-1-piperazin-1-ylethanone
CID 61325591
N-cyclopropyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
CID 119914949
2-[3-fluoropropyl(methyl)amino]-1-piperazin-1-ylethanone
CID 81113401
1-(4-acetylpiperazin-1-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone
CID 78783667
2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 63684187
2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-methylamino]-1-piperazin-1-ylethanone
CID 119915244
methyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate
CID 63684175

Frequently Asked Questions

What is the IUPAC name of 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1-piperazin-1-ylethanone (CID 55226684) is 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1-piperazin-1-ylethanone is CN(CC(=O)N1CCNCC1)CC1CC2CCC1C2.
What is the InChIKey of 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1-piperazin-1-ylethanone?
The InChIKey is NIUFTFFAXCNCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-17(10-14-9-12-2-3-13(14)8-12)11-15(19)18-6-4-16-5-7-18/h12-14,16H,2-11H2,1H3.
What are the key properties of 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1-piperazin-1-ylethanone?
2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1-piperazin-1-ylethanone has a molecular weight of 265.40 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1-piperazin-1-ylethanone is sourced from PubChem (CID 55226684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).