2-butan-2-yloxy-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone

C14H27N3O2 — CID 120995473

IUPAC2-butan-2-yloxy-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone
SMILESCCC(C)OCC(=O)N1CCC(N2CCNCC2)C1
InChIInChI=1S/C14H27N3O2/c1-3-12(2)19-11-14(18)17-7-4-13(10-17)16-8-5-15-6-9-16/h12-13,15H,3-11H2,1-2H3
InChIKeyBWLBAKCZKBVQOG-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.31
Rot. Bonds5

About 2-butan-2-yloxy-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone

2-butan-2-yloxy-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone (PubChem CID 120995473) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-butan-2-yloxy-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-butan-2-yloxy-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone
PubChem CID120995473
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-butan-2-yloxy-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone
SMILESCCC(C)OCC(=O)N1CCC(N2CCNCC2)C1
InChIInChI=1S/C14H27N3O2/c1-3-12(2)19-11-14(18)17-7-4-13(10-17)16-8-5-15-6-9-16/h12-13,15H,3-11H2,1-2H3
InChIKeyBWLBAKCZKBVQOG-UHFFFAOYSA-N
XLogP0.31
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-piperazin-1-ylpyrrolidin-1-yl)-2-propoxyethanone;hydrochloride
CID 120994583
3-methyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one;hydrochloride
CID 120995440
2-(4-fluorophenoxy)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone
CID 120997837
2-cyclopropyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride
CID 120997503
2-(3-methyl-4-propan-2-ylphenoxy)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone
CID 120997821
2-(2-fluorophenoxy)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone
CID 120997580
2-(4-methylcyclohexyl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone
CID 120996941
2-cyclohexyloxy-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one
CID 120997669
3-cyclobutyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one
CID 120996967
1-(3-piperazin-1-ylpyrrolidin-1-yl)pent-4-en-1-one
CID 112739428
4-methoxy-1-(3-piperazin-1-ylazetidin-1-yl)pentan-1-one
CID 113382211
2-cycloheptyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone
CID 120997204

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yloxy-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-butan-2-yloxy-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone (CID 120995473) is 2-butan-2-yloxy-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-butan-2-yloxy-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-butan-2-yloxy-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone is CCC(C)OCC(=O)N1CCC(N2CCNCC2)C1.
What is the InChIKey of 2-butan-2-yloxy-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone?
The InChIKey is BWLBAKCZKBVQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-3-12(2)19-11-14(18)17-7-4-13(10-17)16-8-5-15-6-9-16/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 2-butan-2-yloxy-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone?
2-butan-2-yloxy-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone has a molecular weight of 269.39 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxy-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 120995473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).