2-(2,5-dimethylpiperazin-1-yl)-1-pyrrolidin-1-ylpropan-1-one

C13H25N3O — CID 64980370

IUPAC2-(2,5-dimethylpiperazin-1-yl)-1-pyrrolidin-1-ylpropan-1-one
SMILESCC1CN(C(C)C(=O)N2CCCC2)C(C)CN1
InChIInChI=1S/C13H25N3O/c1-10-9-16(11(2)8-14-10)12(3)13(17)15-6-4-5-7-15/h10-12,14H,4-9H2,1-3H3
InChIKeyIKXOWKKQNJFAJF-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.68
Rot. Bonds2

About 2-(2,5-dimethylpiperazin-1-yl)-1-pyrrolidin-1-ylpropan-1-one

2-(2,5-dimethylpiperazin-1-yl)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 64980370) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(2,5-dimethylpiperazin-1-yl)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(2,5-dimethylpiperazin-1-yl)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID64980370
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-(2,5-dimethylpiperazin-1-yl)-1-pyrrolidin-1-ylpropan-1-one
SMILESCC1CN(C(C)C(=O)N2CCCC2)C(C)CN1
InChIInChI=1S/C13H25N3O/c1-10-9-16(11(2)8-14-10)12(3)13(17)15-6-4-5-7-15/h10-12,14H,4-9H2,1-3H3
InChIKeyIKXOWKKQNJFAJF-UHFFFAOYSA-N
XLogP0.68
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]propanoic acid
CID 146529570
2-[(2R)-2-methylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 82755930
N-butan-2-yl-2-(2,5-dimethylpiperazin-1-yl)propanamide
CID 64980597
2-(2-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
CID 24693532
2-(2,5-dimethylpiperazin-1-yl)pentanoic acid
CID 83048854
1-but-3-en-2-yl-2,5-dimethylpiperazine
CID 64980427
1-(dicyclopropylmethyl)-2,5-dimethylpiperazine
CID 64937752
1-(2,5-dimethylpiperazin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103309302
(5-methylpiperazin-2-yl)-piperidin-1-ylmethanone
CID 63103119
2-[2-(aminomethyl)pyrrolidin-1-yl]-1-(azepan-1-yl)propan-1-one
CID 63760688
2,5-dimethyl-1-(6-methylheptan-2-yl)piperazine
CID 64938696
1-(2,5-dimethylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 64979552

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpiperazin-1-yl)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-(2,5-dimethylpiperazin-1-yl)-1-pyrrolidin-1-ylpropan-1-one (CID 64980370) is 2-(2,5-dimethylpiperazin-1-yl)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(2,5-dimethylpiperazin-1-yl)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-(2,5-dimethylpiperazin-1-yl)-1-pyrrolidin-1-ylpropan-1-one is CC1CN(C(C)C(=O)N2CCCC2)C(C)CN1.
What is the InChIKey of 2-(2,5-dimethylpiperazin-1-yl)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is IKXOWKKQNJFAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-10-9-16(11(2)8-14-10)12(3)13(17)15-6-4-5-7-15/h10-12,14H,4-9H2,1-3H3.
What are the key properties of 2-(2,5-dimethylpiperazin-1-yl)-1-pyrrolidin-1-ylpropan-1-one?
2-(2,5-dimethylpiperazin-1-yl)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 239.36 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpiperazin-1-yl)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 64980370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).