3-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride

C16H34Cl2N4O — CID 120982909

IUPAC3-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
SMILESCCCN(C)CC1CCN(CCC(=O)N2CCNCC2)C1.Cl.Cl
InChIInChI=1S/C16H32N4O.2ClH/c1-3-8-18(2)13-15-4-9-19(14-15)10-5-16(21)20-11-6-17-7-12-20;;/h15,17H,3-14H2,1-2H3;2*1H
InChIKeyJZKKCADUAKLWCN-UHFFFAOYSA-N
MW369.38 g/mol
LogP1.32
Rot. Bonds7

About 3-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride

3-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride (PubChem CID 120982909) has the molecular formula C16H34Cl2N4O and a molecular weight of 369.38 g/mol. Its IUPAC name is 3-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride.

Molecular Properties

Compound Name3-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
PubChem CID120982909
Molecular FormulaC16H34Cl2N4O
Molecular Weight369.38 g/mol
Exact Mass368.21
IUPAC Name3-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
SMILESCCCN(C)CC1CCN(CCC(=O)N2CCNCC2)C1.Cl.Cl
InChIInChI=1S/C16H32N4O.2ClH/c1-3-8-18(2)13-15-4-9-19(14-15)10-5-16(21)20-11-6-17-7-12-20;;/h15,17H,3-14H2,1-2H3;2*1H
InChIKeyJZKKCADUAKLWCN-UHFFFAOYSA-N
XLogP1.32
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981207
3-[4-(diethylaminomethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982442
3-[(1-benzylpyrrolidin-3-yl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one
CID 120982772
3-[3-[2-(diethylamino)ethoxy]pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982915
3-[4-(methoxymethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981559
3-[methyl(oxolan-3-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120982089
3-[(3R)-3-methoxypyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981790
4-(methylamino)-1-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]butan-1-one
CID 119895901
3-[methyl-[(2-methylcyclopropyl)methyl]amino]-1-piperazin-1-ylpropan-1-one
CID 63864805
3-(3-aminopiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
CID 82511431
N-[[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]methyl]acetamide
CID 102736385
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]ethanone;dihydrochloride
CID 119895924

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride?
The IUPAC name of 3-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride (CID 120982909) is 3-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride.
What is the SMILES notation for 3-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride?
The canonical SMILES for 3-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride is CCCN(C)CC1CCN(CCC(=O)N2CCNCC2)C1.Cl.Cl.
What is the InChIKey of 3-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride?
The InChIKey is JZKKCADUAKLWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O.2ClH/c1-3-8-18(2)13-15-4-9-19(14-15)10-5-16(21)20-11-6-17-7-12-20;;/h15,17H,3-14H2,1-2H3;2*1H.
What are the key properties of 3-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride?
3-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride has a molecular weight of 369.38 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride is sourced from PubChem (CID 120982909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).