3-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride

C12H24ClN3O — CID 120981207

IUPAC3-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCC1CCN(CCC(=O)N2CCNCC2)C1.Cl
InChIInChI=1S/C12H23N3O.ClH/c1-11-2-6-14(10-11)7-3-12(16)15-8-4-13-5-9-15;/h11,13H,2-10H2,1H3;1H
InChIKeyLYUHPKIVUXVZMV-UHFFFAOYSA-N
MW261.80 g/mol
LogP0.57
Rot. Bonds3

About 3-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride

3-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride (PubChem CID 120981207) has the molecular formula C12H24ClN3O and a molecular weight of 261.80 g/mol. Its IUPAC name is 3-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
PubChem CID120981207
Molecular FormulaC12H24ClN3O
Molecular Weight261.80 g/mol
Exact Mass261.16
IUPAC Name3-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCC1CCN(CCC(=O)N2CCNCC2)C1.Cl
InChIInChI=1S/C12H23N3O.ClH/c1-11-2-6-14(10-11)7-3-12(16)15-8-4-13-5-9-15;/h11,13H,2-10H2,1H3;1H
InChIKeyLYUHPKIVUXVZMV-UHFFFAOYSA-N
XLogP0.57
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.80
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylethanone
CID 61226175
3-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981105
3-(3-methylpyrrolidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 167480006
3-[(3R)-3-methoxypyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981790
1-(3-methylpiperidin-1-yl)-3-piperazin-1-ylpropan-1-one
CID 82021369
3-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981793
3-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982909
3-[4-(methoxymethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981559
3-(3-aminopiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
CID 82511431
3-(2-methyl-1,4-oxazepan-4-yl)-1-piperazin-1-ylpropan-1-one
CID 55153707
3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-1-piperazin-1-ylpropan-1-one
CID 120981963
3-[3-[2-(diethylamino)ethoxy]pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982915

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride?
The IUPAC name of 3-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride (CID 120981207) is 3-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride?
The canonical SMILES for 3-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride is CC1CCN(CCC(=O)N2CCNCC2)C1.Cl.
What is the InChIKey of 3-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride?
The InChIKey is LYUHPKIVUXVZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O.ClH/c1-11-2-6-14(10-11)7-3-12(16)15-8-4-13-5-9-15;/h11,13H,2-10H2,1H3;1H.
What are the key properties of 3-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride?
3-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride has a molecular weight of 261.80 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 120981207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).