1-(4-piperazin-1-ylphenyl)-1,3-diazinan-2-one

C14H20N4O — CID 82514207

IUPAC1-(4-piperazin-1-ylphenyl)-1,3-diazinan-2-one
SMILESO=C1NCCCN1c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C14H20N4O/c19-14-16-6-1-9-18(14)13-4-2-12(3-5-13)17-10-7-15-8-11-17/h2-5,15H,1,6-11H2,(H,16,19)
InChIKeyKKFHHRZIDKXRID-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.02
Rot. Bonds2

About 1-(4-piperazin-1-ylphenyl)-1,3-diazinan-2-one

1-(4-piperazin-1-ylphenyl)-1,3-diazinan-2-one (PubChem CID 82514207) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(4-piperazin-1-ylphenyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(4-piperazin-1-ylphenyl)-1,3-diazinan-2-one
PubChem CID82514207
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name1-(4-piperazin-1-ylphenyl)-1,3-diazinan-2-one
SMILESO=C1NCCCN1c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C14H20N4O/c19-14-16-6-1-9-18(14)13-4-2-12(3-5-13)17-10-7-15-8-11-17/h2-5,15H,1,6-11H2,(H,16,19)
InChIKeyKKFHHRZIDKXRID-UHFFFAOYSA-N
XLogP1.02
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-piperazin-1-ylphenyl)-1,3-diazinan-2-one?
The IUPAC name of 1-(4-piperazin-1-ylphenyl)-1,3-diazinan-2-one (CID 82514207) is 1-(4-piperazin-1-ylphenyl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-(4-piperazin-1-ylphenyl)-1,3-diazinan-2-one?
The canonical SMILES for 1-(4-piperazin-1-ylphenyl)-1,3-diazinan-2-one is O=C1NCCCN1c1ccc(N2CCNCC2)cc1.
What is the InChIKey of 1-(4-piperazin-1-ylphenyl)-1,3-diazinan-2-one?
The InChIKey is KKFHHRZIDKXRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c19-14-16-6-1-9-18(14)13-4-2-12(3-5-13)17-10-7-15-8-11-17/h2-5,15H,1,6-11H2,(H,16,19).
What are the key properties of 1-(4-piperazin-1-ylphenyl)-1,3-diazinan-2-one?
1-(4-piperazin-1-ylphenyl)-1,3-diazinan-2-one has a molecular weight of 260.34 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-piperazin-1-ylphenyl)-1,3-diazinan-2-one is sourced from PubChem (CID 82514207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).