3-[methyl-[(2-methylcyclopropyl)methyl]amino]-1-piperazin-1-ylpropan-1-one

C13H25N3O — CID 63864805

IUPAC3-[methyl-[(2-methylcyclopropyl)methyl]amino]-1-piperazin-1-ylpropan-1-one
SMILESCC1CC1CN(C)CCC(=O)N1CCNCC1
InChIInChI=1S/C13H25N3O/c1-11-9-12(11)10-15(2)6-3-13(17)16-7-4-14-5-8-16/h11-12,14H,3-10H2,1-2H3
InChIKeyRATIKWNOLGSLDW-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.40
Rot. Bonds5

About 3-[methyl-[(2-methylcyclopropyl)methyl]amino]-1-piperazin-1-ylpropan-1-one

3-[methyl-[(2-methylcyclopropyl)methyl]amino]-1-piperazin-1-ylpropan-1-one (PubChem CID 63864805) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-[methyl-[(2-methylcyclopropyl)methyl]amino]-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[methyl-[(2-methylcyclopropyl)methyl]amino]-1-piperazin-1-ylpropan-1-one
PubChem CID63864805
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name3-[methyl-[(2-methylcyclopropyl)methyl]amino]-1-piperazin-1-ylpropan-1-one
SMILESCC1CC1CN(C)CCC(=O)N1CCNCC1
InChIInChI=1S/C13H25N3O/c1-11-9-12(11)10-15(2)6-3-13(17)16-7-4-14-5-8-16/h11-12,14H,3-10H2,1-2H3
InChIKeyRATIKWNOLGSLDW-UHFFFAOYSA-N
XLogP0.40
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl(oxolan-3-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120982089
3-(dipropylamino)-1-piperazin-1-ylpropan-1-one
CID 39255849
3-[2-methoxyethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 62542594
3-[cyclopentyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 62543081
3-[3-methoxypropyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 62985898
2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1-piperazin-1-ylethanone
CID 55226684
2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]-N-propylacetamide
CID 62543748
3-[2-cyclohexylethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981404
3-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982909
1-piperazin-1-ylbutan-1-one;hydrochloride
CID 67460380
3-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980278
3-[methyl(3-methylbutan-2-yl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980944

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(2-methylcyclopropyl)methyl]amino]-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-[methyl-[(2-methylcyclopropyl)methyl]amino]-1-piperazin-1-ylpropan-1-one (CID 63864805) is 3-[methyl-[(2-methylcyclopropyl)methyl]amino]-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-[methyl-[(2-methylcyclopropyl)methyl]amino]-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-[methyl-[(2-methylcyclopropyl)methyl]amino]-1-piperazin-1-ylpropan-1-one is CC1CC1CN(C)CCC(=O)N1CCNCC1.
What is the InChIKey of 3-[methyl-[(2-methylcyclopropyl)methyl]amino]-1-piperazin-1-ylpropan-1-one?
The InChIKey is RATIKWNOLGSLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-11-9-12(11)10-15(2)6-3-13(17)16-7-4-14-5-8-16/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 3-[methyl-[(2-methylcyclopropyl)methyl]amino]-1-piperazin-1-ylpropan-1-one?
3-[methyl-[(2-methylcyclopropyl)methyl]amino]-1-piperazin-1-ylpropan-1-one has a molecular weight of 239.36 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(2-methylcyclopropyl)methyl]amino]-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 63864805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).