3-cyclobutyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one

C15H27N3O — CID 120996967

IUPAC3-cyclobutyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one
SMILESO=C(CCC1CCC1)N1CCC(N2CCNCC2)C1
InChIInChI=1S/C15H27N3O/c19-15(5-4-13-2-1-3-13)18-9-6-14(12-18)17-10-7-16-8-11-17/h13-14,16H,1-12H2
InChIKeyGRLIRGFBRIPAHN-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.07
Rot. Bonds4

About 3-cyclobutyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one

3-cyclobutyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one (PubChem CID 120996967) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-cyclobutyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-cyclobutyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one
PubChem CID120996967
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name3-cyclobutyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one
SMILESO=C(CCC1CCC1)N1CCC(N2CCNCC2)C1
InChIInChI=1S/C15H27N3O/c19-15(5-4-13-2-1-3-13)18-9-6-14(12-18)17-10-7-16-8-11-17/h13-14,16H,1-12H2
InChIKeyGRLIRGFBRIPAHN-UHFFFAOYSA-N
XLogP1.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopentyl-N-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]propanamide;hydrochloride
CID 120995316
1-(3-morpholin-4-ylpyrrolidin-1-yl)-3-piperidin-4-ylpropan-1-one
CID 63172005
2-cycloheptyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone
CID 120997204
2-cyclopropyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride
CID 120997503
1-(3-piperazin-1-ylpyrrolidin-1-yl)pent-4-en-1-one
CID 112739428
1-[3-(hydroxymethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 62212438
2-(4-methylcyclohexyl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone
CID 120996941
4-methyl-4-phenyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)pentan-1-one
CID 120994951
3-methyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one;hydrochloride
CID 120995440
1-(3-piperazin-1-ylpiperidin-1-yl)pentan-1-one
CID 115270004
2-cyclopentyl-2-methyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one
CID 120994540
1-[3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 120997252

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 3-cyclobutyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one (CID 120996967) is 3-cyclobutyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 3-cyclobutyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 3-cyclobutyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one is O=C(CCC1CCC1)N1CCC(N2CCNCC2)C1.
What is the InChIKey of 3-cyclobutyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one?
The InChIKey is GRLIRGFBRIPAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c19-15(5-4-13-2-1-3-13)18-9-6-14(12-18)17-10-7-16-8-11-17/h13-14,16H,1-12H2.
What are the key properties of 3-cyclobutyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one?
3-cyclobutyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one has a molecular weight of 265.40 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 120996967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).