2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

C13H19N3O — CID 18340861

IUPAC2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(C)C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C13H19N3O/c1-11(2)13(17)16-9-7-15(8-10-16)12-5-3-4-6-14-12/h3-6,11H,7-10H2,1-2H3
InChIKeyOESRXBRFOOVTLS-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.39
Rot. Bonds2

About 2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 18340861) has the molecular formula C13H19N3O and a molecular weight of 233.32 g/mol. Its IUPAC name is 2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
PubChem CID18340861
Molecular FormulaC13H19N3O
Molecular Weight233.32 g/mol
Exact Mass233.15
IUPAC Name2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(C)C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C13H19N3O/c1-11(2)13(17)16-9-7-15(8-10-16)12-5-3-4-6-14-12/h3-6,11H,7-10H2,1-2H3
InChIKeyOESRXBRFOOVTLS-UHFFFAOYSA-N
XLogP1.39
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (CID 18340861) is 2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is CC(C)C(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is OESRXBRFOOVTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-11(2)13(17)16-9-7-15(8-10-16)12-5-3-4-6-14-12/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 233.32 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 18340861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).