2-methyl-1-piperazin-1-yl-2-piperidin-3-ylpropan-1-one

C13H25N3O — CID 83031141

IUPAC2-methyl-1-piperazin-1-yl-2-piperidin-3-ylpropan-1-one
SMILESCC(C)(C(=O)N1CCNCC1)C1CCCNC1
InChIInChI=1S/C13H25N3O/c1-13(2,11-4-3-5-15-10-11)12(17)16-8-6-14-7-9-16/h11,14-15H,3-10H2,1-2H3
InChIKeyNGEVXLXQOIGQTL-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.44
Rot. Bonds2

About 2-methyl-1-piperazin-1-yl-2-piperidin-3-ylpropan-1-one

2-methyl-1-piperazin-1-yl-2-piperidin-3-ylpropan-1-one (PubChem CID 83031141) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-methyl-1-piperazin-1-yl-2-piperidin-3-ylpropan-1-one.

Molecular Properties

Compound Name2-methyl-1-piperazin-1-yl-2-piperidin-3-ylpropan-1-one
PubChem CID83031141
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-methyl-1-piperazin-1-yl-2-piperidin-3-ylpropan-1-one
SMILESCC(C)(C(=O)N1CCNCC1)C1CCCNC1
InChIInChI=1S/C13H25N3O/c1-13(2,11-4-3-5-15-10-11)12(17)16-8-6-14-7-9-16/h11,14-15H,3-10H2,1-2H3
InChIKeyNGEVXLXQOIGQTL-UHFFFAOYSA-N
XLogP0.44
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one
CID 112625086
1-(1,1-dioxo-1,4-thiazepan-4-yl)-2-methyl-2-piperidin-3-ylpropan-1-one
CID 103884985
1-(3-hydroxy-3-methylazetidin-1-yl)-2-methyl-2-piperidin-3-ylpropan-1-one
CID 107219375
1-(2,6-dimethylthiomorpholin-4-yl)-2-methyl-2-piperidin-3-ylpropan-1-one
CID 83032479
2-methyl-1-(2-methylthiomorpholin-4-yl)-2-piperidin-3-ylpropan-1-one
CID 113345683
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one
CID 114797524
3-[1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidin-3-yl]propanoic acid
CID 83199346
3-ethyl-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-3-carboxylic acid
CID 83198886
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one
CID 102726190
2-[4-(2-methyl-2-piperidin-3-ylpropanoyl)morpholin-2-yl]acetic acid
CID 83200057
3-methyl-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 102780306
2-[1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidin-2-yl]acetic acid
CID 83200263

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-piperazin-1-yl-2-piperidin-3-ylpropan-1-one?
The IUPAC name of 2-methyl-1-piperazin-1-yl-2-piperidin-3-ylpropan-1-one (CID 83031141) is 2-methyl-1-piperazin-1-yl-2-piperidin-3-ylpropan-1-one.
What is the SMILES notation for 2-methyl-1-piperazin-1-yl-2-piperidin-3-ylpropan-1-one?
The canonical SMILES for 2-methyl-1-piperazin-1-yl-2-piperidin-3-ylpropan-1-one is CC(C)(C(=O)N1CCNCC1)C1CCCNC1.
What is the InChIKey of 2-methyl-1-piperazin-1-yl-2-piperidin-3-ylpropan-1-one?
The InChIKey is NGEVXLXQOIGQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-13(2,11-4-3-5-15-10-11)12(17)16-8-6-14-7-9-16/h11,14-15H,3-10H2,1-2H3.
What are the key properties of 2-methyl-1-piperazin-1-yl-2-piperidin-3-ylpropan-1-one?
2-methyl-1-piperazin-1-yl-2-piperidin-3-ylpropan-1-one has a molecular weight of 239.36 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-piperazin-1-yl-2-piperidin-3-ylpropan-1-one is sourced from PubChem (CID 83031141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).