2-(2,5-dimethylpyrrolidin-1-yl)-1-(2-methylpiperazin-1-yl)propan-1-one

C14H27N3O — CID 62672063

IUPAC2-(2,5-dimethylpyrrolidin-1-yl)-1-(2-methylpiperazin-1-yl)propan-1-one
SMILESCC1CNCCN1C(=O)C(C)N1C(C)CCC1C
InChIInChI=1S/C14H27N3O/c1-10-5-6-11(2)17(10)13(4)14(18)16-8-7-15-9-12(16)3/h10-13,15H,5-9H2,1-4H3
InChIKeyZDWFSQGBTAZNJT-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.07
Rot. Bonds2

About 2-(2,5-dimethylpyrrolidin-1-yl)-1-(2-methylpiperazin-1-yl)propan-1-one

2-(2,5-dimethylpyrrolidin-1-yl)-1-(2-methylpiperazin-1-yl)propan-1-one (PubChem CID 62672063) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrrolidin-1-yl)-1-(2-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(2,5-dimethylpyrrolidin-1-yl)-1-(2-methylpiperazin-1-yl)propan-1-one
PubChem CID62672063
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-(2,5-dimethylpyrrolidin-1-yl)-1-(2-methylpiperazin-1-yl)propan-1-one
SMILESCC1CNCCN1C(=O)C(C)N1C(C)CCC1C
InChIInChI=1S/C14H27N3O/c1-10-5-6-11(2)17(10)13(4)14(18)16-8-7-15-9-12(16)3/h10-13,15H,5-9H2,1-4H3
InChIKeyZDWFSQGBTAZNJT-UHFFFAOYSA-N
XLogP1.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 128920292
(2S)-2-amino-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 128923025
(2S)-2-methyl-N-propan-2-ylpiperazine-1-carboxamide
CID 82756259
2-cycloheptyloxy-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119472718
2-ethyl-1-[(2R)-2-methylpiperazin-1-yl]butan-1-one
CID 82756442
2-methyl-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid
CID 172777636
(2R)-2-amino-1-[(2S)-2-methylpiperazin-1-yl]butan-1-one;hydrochloride
CID 130757949
2-cyclohexyl-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]acetamide;hydrochloride
CID 119473107
1-[(2S)-2-methylpiperazin-1-yl]ethanone
CID 54446440
1-[(2R)-2-methylpiperazin-1-yl]ethanone
CID 55300442
3-amino-1-(2-methylpiperazin-1-yl)butan-1-one
CID 128919979
3,4-dimethyl-1-(2-methylpiperazin-1-yl)pentan-1-one
CID 119473625

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrrolidin-1-yl)-1-(2-methylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-(2,5-dimethylpyrrolidin-1-yl)-1-(2-methylpiperazin-1-yl)propan-1-one (CID 62672063) is 2-(2,5-dimethylpyrrolidin-1-yl)-1-(2-methylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-(2,5-dimethylpyrrolidin-1-yl)-1-(2-methylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-(2,5-dimethylpyrrolidin-1-yl)-1-(2-methylpiperazin-1-yl)propan-1-one is CC1CNCCN1C(=O)C(C)N1C(C)CCC1C.
What is the InChIKey of 2-(2,5-dimethylpyrrolidin-1-yl)-1-(2-methylpiperazin-1-yl)propan-1-one?
The InChIKey is ZDWFSQGBTAZNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-10-5-6-11(2)17(10)13(4)14(18)16-8-7-15-9-12(16)3/h10-13,15H,5-9H2,1-4H3.
What are the key properties of 2-(2,5-dimethylpyrrolidin-1-yl)-1-(2-methylpiperazin-1-yl)propan-1-one?
2-(2,5-dimethylpyrrolidin-1-yl)-1-(2-methylpiperazin-1-yl)propan-1-one has a molecular weight of 253.39 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrrolidin-1-yl)-1-(2-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 62672063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).