2-oxo-8-piperazin-1-ylchromene-3-carboxamide

C14H15N3O3 — CID 87768437

IUPAC2-oxo-8-piperazin-1-ylchromene-3-carboxamide
SMILESNC(=O)c1cc2cccc(N3CCNCC3)c2oc1=O
InChIInChI=1S/C14H15N3O3/c15-13(18)10-8-9-2-1-3-11(12(9)20-14(10)19)17-6-4-16-5-7-17/h1-3,8,16H,4-7H2,(H2,15,18)
InChIKeyJUQUNBKCWWOZEV-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.30
Rot. Bonds2

About 2-oxo-8-piperazin-1-ylchromene-3-carboxamide

2-oxo-8-piperazin-1-ylchromene-3-carboxamide (PubChem CID 87768437) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-oxo-8-piperazin-1-ylchromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-8-piperazin-1-ylchromene-3-carboxamide
PubChem CID87768437
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-oxo-8-piperazin-1-ylchromene-3-carboxamide
SMILESNC(=O)c1cc2cccc(N3CCNCC3)c2oc1=O
InChIInChI=1S/C14H15N3O3/c15-13(18)10-8-9-2-1-3-11(12(9)20-14(10)19)17-6-4-16-5-7-17/h1-3,8,16H,4-7H2,(H2,15,18)
InChIKeyJUQUNBKCWWOZEV-UHFFFAOYSA-N
XLogP0.30
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-8-piperazin-1-ylchromene-3-carboxamide?
The IUPAC name of 2-oxo-8-piperazin-1-ylchromene-3-carboxamide (CID 87768437) is 2-oxo-8-piperazin-1-ylchromene-3-carboxamide.
What is the SMILES notation for 2-oxo-8-piperazin-1-ylchromene-3-carboxamide?
The canonical SMILES for 2-oxo-8-piperazin-1-ylchromene-3-carboxamide is NC(=O)c1cc2cccc(N3CCNCC3)c2oc1=O.
What is the InChIKey of 2-oxo-8-piperazin-1-ylchromene-3-carboxamide?
The InChIKey is JUQUNBKCWWOZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c15-13(18)10-8-9-2-1-3-11(12(9)20-14(10)19)17-6-4-16-5-7-17/h1-3,8,16H,4-7H2,(H2,15,18).
What are the key properties of 2-oxo-8-piperazin-1-ylchromene-3-carboxamide?
2-oxo-8-piperazin-1-ylchromene-3-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-8-piperazin-1-ylchromene-3-carboxamide is sourced from PubChem (CID 87768437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).