3-[methyl(pyrazin-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one;dihydrochloride

C13H23Cl2N5O — CID 120982556

IUPAC3-[methyl(pyrazin-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one;dihydrochloride
SMILESCN(CCC(=O)N1CCNCC1)Cc1cnccn1.Cl.Cl
InChIInChI=1S/C13H21N5O.2ClH/c1-17(11-12-10-15-3-4-16-12)7-2-13(19)18-8-5-14-6-9-18;;/h3-4,10,14H,2,5-9,11H2,1H3;2*1H
InChIKeyADVAWMSIIOALQJ-UHFFFAOYSA-N
MW336.27 g/mol
LogP0.57
Rot. Bonds5

About 3-[methyl(pyrazin-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one;dihydrochloride

3-[methyl(pyrazin-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one;dihydrochloride (PubChem CID 120982556) has the molecular formula C13H23Cl2N5O and a molecular weight of 336.27 g/mol. Its IUPAC name is 3-[methyl(pyrazin-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one;dihydrochloride.

Molecular Properties

Compound Name3-[methyl(pyrazin-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one;dihydrochloride
PubChem CID120982556
Molecular FormulaC13H23Cl2N5O
Molecular Weight336.27 g/mol
Exact Mass335.13
IUPAC Name3-[methyl(pyrazin-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one;dihydrochloride
SMILESCN(CCC(=O)N1CCNCC1)Cc1cnccn1.Cl.Cl
InChIInChI=1S/C13H21N5O.2ClH/c1-17(11-12-10-15-3-4-16-12)7-2-13(19)18-8-5-14-6-9-18;;/h3-4,10,14H,2,5-9,11H2,1H3;2*1H
InChIKeyADVAWMSIIOALQJ-UHFFFAOYSA-N
XLogP0.57
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[methyl(pyridin-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one
CID 55085672
3-[(4-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980411
4-(azepan-1-yl)-N-methyl-4-oxo-N-(pyrazin-2-ylmethyl)butanamide
CID 86286116
3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1-piperazin-1-ylpropan-1-one
CID 63013604
3-[methyl(1H-pyrazol-5-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982759
3-[(5-ethyl-1,3-thiazol-2-yl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one
CID 120982924
3-[methyl(pyridin-2-ylmethyl)amino]-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one
CID 175652345
3-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982623
1-(3,5-dimethylpiperidin-1-yl)-2-[methyl(pyrazin-2-ylmethyl)amino]ethanone
CID 75377018
3-[methyl-[(2-phenyltriazol-4-yl)methyl]amino]-1-piperazin-1-ylpropan-1-one
CID 120981009
3-[(2-bromophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one
CID 62543752
N-methyl-3-piperidin-4-yl-N-(pyrazin-2-ylmethyl)butanamide;dihydrochloride
CID 119867890

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(pyrazin-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one;dihydrochloride?
The IUPAC name of 3-[methyl(pyrazin-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one;dihydrochloride (CID 120982556) is 3-[methyl(pyrazin-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one;dihydrochloride.
What is the SMILES notation for 3-[methyl(pyrazin-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one;dihydrochloride?
The canonical SMILES for 3-[methyl(pyrazin-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one;dihydrochloride is CN(CCC(=O)N1CCNCC1)Cc1cnccn1.Cl.Cl.
What is the InChIKey of 3-[methyl(pyrazin-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one;dihydrochloride?
The InChIKey is ADVAWMSIIOALQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O.2ClH/c1-17(11-12-10-15-3-4-16-12)7-2-13(19)18-8-5-14-6-9-18;;/h3-4,10,14H,2,5-9,11H2,1H3;2*1H.
What are the key properties of 3-[methyl(pyrazin-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one;dihydrochloride?
3-[methyl(pyrazin-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one;dihydrochloride has a molecular weight of 336.27 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(pyrazin-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one;dihydrochloride is sourced from PubChem (CID 120982556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).