4-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]amino]chromen-2-one

C23H24N2O2 — CID 11837128

IUPAC4-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]amino]chromen-2-one
SMILESO=c1cc(NC2CCN(C/C=C/c3ccccc3)CC2)c2ccccc2o1
InChIInChI=1S/C23H24N2O2/c26-23-17-21(20-10-4-5-11-22(20)27-23)24-19-12-15-25(16-13-19)14-6-9-18-7-2-1-3-8-18/h1-11,17,19,24H,12-16H2/b9-6+
InChIKeyFIRKPDSIWCEKFV-RMKNXTFCSA-N
MW360.46 g/mol
LogP4.38
Rot. Bonds5

About 4-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]amino]chromen-2-one

4-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]amino]chromen-2-one (PubChem CID 11837128) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]amino]chromen-2-one.

Molecular Properties

Compound Name4-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]amino]chromen-2-one
PubChem CID11837128
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name4-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]amino]chromen-2-one
SMILESO=c1cc(NC2CCN(C/C=C/c3ccccc3)CC2)c2ccccc2o1
InChIInChI=1S/C23H24N2O2/c26-23-17-21(20-10-4-5-11-22(20)27-23)24-19-12-15-25(16-13-19)14-6-9-18-7-2-1-3-8-18/h1-11,17,19,24H,12-16H2/b9-6+
InChIKeyFIRKPDSIWCEKFV-RMKNXTFCSA-N
XLogP4.38
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]amino]chromen-2-one?
The IUPAC name of 4-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]amino]chromen-2-one (CID 11837128) is 4-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]amino]chromen-2-one.
What is the SMILES notation for 4-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]amino]chromen-2-one?
The canonical SMILES for 4-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]amino]chromen-2-one is O=c1cc(NC2CCN(C/C=C/c3ccccc3)CC2)c2ccccc2o1.
What is the InChIKey of 4-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]amino]chromen-2-one?
The InChIKey is FIRKPDSIWCEKFV-RMKNXTFCSA-N. The full InChI is InChI=1S/C23H24N2O2/c26-23-17-21(20-10-4-5-11-22(20)27-23)24-19-12-15-25(16-13-19)14-6-9-18-7-2-1-3-8-18/h1-11,17,19,24H,12-16H2/b9-6+.
What are the key properties of 4-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]amino]chromen-2-one?
4-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]amino]chromen-2-one has a molecular weight of 360.46 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]amino]chromen-2-one is sourced from PubChem (CID 11837128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).