2-oxo-N-(5-phenyl-2-piperazin-1-ylphenyl)chromene-3-carboxamide

C26H23N3O3 — CID 11699482

IUPAC2-oxo-N-(5-phenyl-2-piperazin-1-ylphenyl)chromene-3-carboxamide
SMILESO=C(Nc1cc(-c2ccccc2)ccc1N1CCNCC1)c1cc2ccccc2oc1=O
InChIInChI=1S/C26H23N3O3/c30-25(21-16-20-8-4-5-9-24(20)32-26(21)31)28-22-17-19(18-6-2-1-3-7-18)10-11-23(22)29-14-12-27-13-15-29/h1-11,16-17,27H,12-15H2,(H,28,30)
InChIKeyKHDMWLZSDRWJGD-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.12
Rot. Bonds4

About 2-oxo-N-(5-phenyl-2-piperazin-1-ylphenyl)chromene-3-carboxamide

2-oxo-N-(5-phenyl-2-piperazin-1-ylphenyl)chromene-3-carboxamide (PubChem CID 11699482) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is 2-oxo-N-(5-phenyl-2-piperazin-1-ylphenyl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(5-phenyl-2-piperazin-1-ylphenyl)chromene-3-carboxamide
PubChem CID11699482
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC Name2-oxo-N-(5-phenyl-2-piperazin-1-ylphenyl)chromene-3-carboxamide
SMILESO=C(Nc1cc(-c2ccccc2)ccc1N1CCNCC1)c1cc2ccccc2oc1=O
InChIInChI=1S/C26H23N3O3/c30-25(21-16-20-8-4-5-9-24(20)32-26(21)31)28-22-17-19(18-6-2-1-3-7-18)10-11-23(22)29-14-12-27-13-15-29/h1-11,16-17,27H,12-15H2,(H,28,30)
InChIKeyKHDMWLZSDRWJGD-UHFFFAOYSA-N
XLogP4.12
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-N-p-tolyl-2H-chromene-3-carboxamide
CID 599290
N-(3-Methylphenyl)-2-oxo-2H-chromene-3-carboxamide
CID 599289
N-(3,5-dimethylphenyl)-2-oxo-2H-chromene-3-carboxamide
CID 724196
N-(4-ethylphenyl)-2-oxo-2H-chromene-3-carboxamide
CID 724200
N-(3,4-dimethylphenyl)-2-oxo-2H-chromene-3-carboxamide
CID 724195
2-oxo-N-[4-(propan-2-yl)phenyl]-2H-chromene-3-carboxamide
CID 724176
N-(2-Benzylphenyl)-2-oxo-2H-chromene-3-carboxamide
CID 8438344
2,2,2-trifluoroacetic acid; N-[5-bromo-2-(piperazin-1-yl)phenyl]-2-oxo-2H-chromene-3-carboxamide
CID 11526737
N-[2-(4-benzylpiperazin-1-yl)-5-phenylphenyl]-2-oxo-2H-chromene-3-carboxamide
CID 11634931
N-[2-(4-benzylpiperazin-1-yl)-5-bromophenyl]-2-oxo-2H-chromene-3-carboxamide
CID 11699253
7-Methoxy-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-2-oxo-2H-chromene-3-carboxamide (9j)
CID 122164697
N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-2-oxo-2H-chromene-3-carboxamide (9o)
CID 122164700

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(5-phenyl-2-piperazin-1-ylphenyl)chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-(5-phenyl-2-piperazin-1-ylphenyl)chromene-3-carboxamide (CID 11699482) is 2-oxo-N-(5-phenyl-2-piperazin-1-ylphenyl)chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(5-phenyl-2-piperazin-1-ylphenyl)chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-(5-phenyl-2-piperazin-1-ylphenyl)chromene-3-carboxamide is O=C(Nc1cc(-c2ccccc2)ccc1N1CCNCC1)c1cc2ccccc2oc1=O.
What is the InChIKey of 2-oxo-N-(5-phenyl-2-piperazin-1-ylphenyl)chromene-3-carboxamide?
The InChIKey is KHDMWLZSDRWJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c30-25(21-16-20-8-4-5-9-24(20)32-26(21)31)28-22-17-19(18-6-2-1-3-7-18)10-11-23(22)29-14-12-27-13-15-29/h1-11,16-17,27H,12-15H2,(H,28,30).
What are the key properties of 2-oxo-N-(5-phenyl-2-piperazin-1-ylphenyl)chromene-3-carboxamide?
2-oxo-N-(5-phenyl-2-piperazin-1-ylphenyl)chromene-3-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(5-phenyl-2-piperazin-1-ylphenyl)chromene-3-carboxamide is sourced from PubChem (CID 11699482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).