1-(3-piperazin-1-ylpyrrolidin-1-yl)-2-propoxyethanone;hydrochloride

C13H26ClN3O2 — CID 120994583

IUPAC1-(3-piperazin-1-ylpyrrolidin-1-yl)-2-propoxyethanone;hydrochloride
SMILESCCCOCC(=O)N1CCC(N2CCNCC2)C1.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-2-9-18-11-13(17)16-6-3-12(10-16)15-7-4-14-5-8-15;/h12,14H,2-11H2,1H3;1H
InChIKeyRDSCOVJAULCZAK-UHFFFAOYSA-N
MW291.82 g/mol
LogP0.34
Rot. Bonds5

About 1-(3-piperazin-1-ylpyrrolidin-1-yl)-2-propoxyethanone;hydrochloride

1-(3-piperazin-1-ylpyrrolidin-1-yl)-2-propoxyethanone;hydrochloride (PubChem CID 120994583) has the molecular formula C13H26ClN3O2 and a molecular weight of 291.82 g/mol. Its IUPAC name is 1-(3-piperazin-1-ylpyrrolidin-1-yl)-2-propoxyethanone;hydrochloride.

Molecular Properties

Compound Name1-(3-piperazin-1-ylpyrrolidin-1-yl)-2-propoxyethanone;hydrochloride
PubChem CID120994583
Molecular FormulaC13H26ClN3O2
Molecular Weight291.82 g/mol
Exact Mass291.17
IUPAC Name1-(3-piperazin-1-ylpyrrolidin-1-yl)-2-propoxyethanone;hydrochloride
SMILESCCCOCC(=O)N1CCC(N2CCNCC2)C1.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-2-9-18-11-13(17)16-6-3-12(10-16)15-7-4-14-5-8-15;/h12,14H,2-11H2,1H3;1H
InChIKeyRDSCOVJAULCZAK-UHFFFAOYSA-N
XLogP0.34
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-butan-2-yloxy-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone
CID 120995473
3-methyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one;hydrochloride
CID 120995440
2-cyclopropyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride
CID 120997503
1-(1,4-diazepan-1-yl)-2-propoxyethanone;hydrochloride
CID 119415667
2-(4-methylcyclohexyl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone
CID 120996941
1-(3-ethylpyrrolidin-1-yl)-2-propoxyethanone
CID 103747275
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-propoxyethanone;hydrochloride
CID 119484604
1-(3-piperazin-1-ylpiperidin-1-yl)pentan-1-one
CID 115270004
1-[3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 120997252
2-(4-fluorophenoxy)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone
CID 120997837
(3,4-dipropoxyphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120996428
2-(2,6-dichlorophenoxy)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride
CID 120996180

Frequently Asked Questions

What is the IUPAC name of 1-(3-piperazin-1-ylpyrrolidin-1-yl)-2-propoxyethanone;hydrochloride?
The IUPAC name of 1-(3-piperazin-1-ylpyrrolidin-1-yl)-2-propoxyethanone;hydrochloride (CID 120994583) is 1-(3-piperazin-1-ylpyrrolidin-1-yl)-2-propoxyethanone;hydrochloride.
What is the SMILES notation for 1-(3-piperazin-1-ylpyrrolidin-1-yl)-2-propoxyethanone;hydrochloride?
The canonical SMILES for 1-(3-piperazin-1-ylpyrrolidin-1-yl)-2-propoxyethanone;hydrochloride is CCCOCC(=O)N1CCC(N2CCNCC2)C1.Cl.
What is the InChIKey of 1-(3-piperazin-1-ylpyrrolidin-1-yl)-2-propoxyethanone;hydrochloride?
The InChIKey is RDSCOVJAULCZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2.ClH/c1-2-9-18-11-13(17)16-6-3-12(10-16)15-7-4-14-5-8-15;/h12,14H,2-11H2,1H3;1H.
What are the key properties of 1-(3-piperazin-1-ylpyrrolidin-1-yl)-2-propoxyethanone;hydrochloride?
1-(3-piperazin-1-ylpyrrolidin-1-yl)-2-propoxyethanone;hydrochloride has a molecular weight of 291.82 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-piperazin-1-ylpyrrolidin-1-yl)-2-propoxyethanone;hydrochloride is sourced from PubChem (CID 120994583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).