piperazin-1-yl(pyridin-4-yl)methanone

C10H13N3O — CID 876553

IUPACpiperazin-1-yl(pyridin-4-yl)methanone
SMILESO=C(c1ccncc1)N1CCNCC1
InChIInChI=1S/C10H13N3O/c14-10(9-1-3-11-4-2-9)13-7-5-12-6-8-13/h1-4,12H,5-8H2
InChIKeyYLYAETTZHAUHNX-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.13
Rot. Bonds1

About piperazin-1-yl(pyridin-4-yl)methanone

piperazin-1-yl(pyridin-4-yl)methanone (PubChem CID 876553) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is piperazin-1-yl(pyridin-4-yl)methanone.

Molecular Properties

Compound Namepiperazin-1-yl(pyridin-4-yl)methanone
PubChem CID876553
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Namepiperazin-1-yl(pyridin-4-yl)methanone
SMILESO=C(c1ccncc1)N1CCNCC1
InChIInChI=1S/C10H13N3O/c14-10(9-1-3-11-4-2-9)13-7-5-12-6-8-13/h1-4,12H,5-8H2
InChIKeyYLYAETTZHAUHNX-UHFFFAOYSA-N
XLogP0.13
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl(pyridin-4-yl)methanone?
The IUPAC name of piperazin-1-yl(pyridin-4-yl)methanone (CID 876553) is piperazin-1-yl(pyridin-4-yl)methanone.
What is the SMILES notation for piperazin-1-yl(pyridin-4-yl)methanone?
The canonical SMILES for piperazin-1-yl(pyridin-4-yl)methanone is O=C(c1ccncc1)N1CCNCC1.
What is the InChIKey of piperazin-1-yl(pyridin-4-yl)methanone?
The InChIKey is YLYAETTZHAUHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c14-10(9-1-3-11-4-2-9)13-7-5-12-6-8-13/h1-4,12H,5-8H2.
What are the key properties of piperazin-1-yl(pyridin-4-yl)methanone?
piperazin-1-yl(pyridin-4-yl)methanone has a molecular weight of 191.23 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl(pyridin-4-yl)methanone is sourced from PubChem (CID 876553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).