bis(4-pyridin-2-ylpiperazin-1-yl)methanone

C19H24N6O — CID 108990349

IUPACbis(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(N1CCN(c2ccccn2)CC1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H24N6O/c26-19(24-13-9-22(10-14-24)17-5-1-3-7-20-17)25-15-11-23(12-16-25)18-6-2-4-8-21-18/h1-8H,9-16H2
InChIKeyIYPITKXHBQZHQG-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.54
Rot. Bonds2

About bis(4-pyridin-2-ylpiperazin-1-yl)methanone

bis(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 108990349) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is bis(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namebis(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID108990349
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Namebis(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(N1CCN(c2ccccn2)CC1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H24N6O/c26-19(24-13-9-22(10-14-24)17-5-1-3-7-20-17)25-15-11-23(12-16-25)18-6-2-4-8-21-18/h1-8H,9-16H2
InChIKeyIYPITKXHBQZHQG-UHFFFAOYSA-N
XLogP1.54
TPSA55.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of bis(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 108990349) is bis(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for bis(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for bis(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(N1CCN(c2ccccn2)CC1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of bis(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is IYPITKXHBQZHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c26-19(24-13-9-22(10-14-24)17-5-1-3-7-20-17)25-15-11-23(12-16-25)18-6-2-4-8-21-18/h1-8H,9-16H2.
What are the key properties of bis(4-pyridin-2-ylpiperazin-1-yl)methanone?
bis(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 352.44 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 108990349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).