1-(2-methoxy-5-piperazin-1-ylphenyl)-1,3-diazinane-2,4-dione

C15H20N4O3 — CID 167463577

IUPAC1-(2-methoxy-5-piperazin-1-ylphenyl)-1,3-diazinane-2,4-dione
SMILESCOc1ccc(N2CCNCC2)cc1N1CCC(=O)NC1=O
InChIInChI=1S/C15H20N4O3/c1-22-13-3-2-11(18-8-5-16-6-9-18)10-12(13)19-7-4-14(20)17-15(19)21/h2-3,10,16H,4-9H2,1H3,(H,17,20,21)
InChIKeyUFCWUIVYFAFVGM-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.55
Rot. Bonds3

About 1-(2-methoxy-5-piperazin-1-ylphenyl)-1,3-diazinane-2,4-dione

1-(2-methoxy-5-piperazin-1-ylphenyl)-1,3-diazinane-2,4-dione (PubChem CID 167463577) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-(2-methoxy-5-piperazin-1-ylphenyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(2-methoxy-5-piperazin-1-ylphenyl)-1,3-diazinane-2,4-dione
PubChem CID167463577
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name1-(2-methoxy-5-piperazin-1-ylphenyl)-1,3-diazinane-2,4-dione
SMILESCOc1ccc(N2CCNCC2)cc1N1CCC(=O)NC1=O
InChIInChI=1S/C15H20N4O3/c1-22-13-3-2-11(18-8-5-16-6-9-18)10-12(13)19-7-4-14(20)17-15(19)21/h2-3,10,16H,4-9H2,1H3,(H,17,20,21)
InChIKeyUFCWUIVYFAFVGM-UHFFFAOYSA-N
XLogP0.55
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-piperazin-1-ylphenyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(2-methoxy-5-piperazin-1-ylphenyl)-1,3-diazinane-2,4-dione (CID 167463577) is 1-(2-methoxy-5-piperazin-1-ylphenyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(2-methoxy-5-piperazin-1-ylphenyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(2-methoxy-5-piperazin-1-ylphenyl)-1,3-diazinane-2,4-dione is COc1ccc(N2CCNCC2)cc1N1CCC(=O)NC1=O.
What is the InChIKey of 1-(2-methoxy-5-piperazin-1-ylphenyl)-1,3-diazinane-2,4-dione?
The InChIKey is UFCWUIVYFAFVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-22-13-3-2-11(18-8-5-16-6-9-18)10-12(13)19-7-4-14(20)17-15(19)21/h2-3,10,16H,4-9H2,1H3,(H,17,20,21).
What are the key properties of 1-(2-methoxy-5-piperazin-1-ylphenyl)-1,3-diazinane-2,4-dione?
1-(2-methoxy-5-piperazin-1-ylphenyl)-1,3-diazinane-2,4-dione has a molecular weight of 304.35 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-piperazin-1-ylphenyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 167463577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).