4-[[1-(3-phenylpropyl)piperidin-4-yl]amino]chromen-2-one

C23H26N2O2 — CID 6453062

IUPAC4-[[1-(3-phenylpropyl)piperidin-4-yl]amino]chromen-2-one
SMILESO=c1cc(NC2CCN(CCCc3ccccc3)CC2)c2ccccc2o1
InChIInChI=1S/C23H26N2O2/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/h1-5,7-8,10-11,17,19,24H,6,9,12-16H2
InChIKeyHTQQNAVSHXDHTF-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.30
Rot. Bonds6

About 4-[[1-(3-phenylpropyl)piperidin-4-yl]amino]chromen-2-one

4-[[1-(3-phenylpropyl)piperidin-4-yl]amino]chromen-2-one (PubChem CID 6453062) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 4-[[1-(3-phenylpropyl)piperidin-4-yl]amino]chromen-2-one.

Molecular Properties

Compound Name4-[[1-(3-phenylpropyl)piperidin-4-yl]amino]chromen-2-one
PubChem CID6453062
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name4-[[1-(3-phenylpropyl)piperidin-4-yl]amino]chromen-2-one
SMILESO=c1cc(NC2CCN(CCCc3ccccc3)CC2)c2ccccc2o1
InChIInChI=1S/C23H26N2O2/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/h1-5,7-8,10-11,17,19,24H,6,9,12-16H2
InChIKeyHTQQNAVSHXDHTF-UHFFFAOYSA-N
XLogP4.30
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.30
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-(3-phenylpropyl)piperidin-4-yl]amino]chromen-2-one?
The IUPAC name of 4-[[1-(3-phenylpropyl)piperidin-4-yl]amino]chromen-2-one (CID 6453062) is 4-[[1-(3-phenylpropyl)piperidin-4-yl]amino]chromen-2-one.
What is the SMILES notation for 4-[[1-(3-phenylpropyl)piperidin-4-yl]amino]chromen-2-one?
The canonical SMILES for 4-[[1-(3-phenylpropyl)piperidin-4-yl]amino]chromen-2-one is O=c1cc(NC2CCN(CCCc3ccccc3)CC2)c2ccccc2o1.
What is the InChIKey of 4-[[1-(3-phenylpropyl)piperidin-4-yl]amino]chromen-2-one?
The InChIKey is HTQQNAVSHXDHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/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/h1-5,7-8,10-11,17,19,24H,6,9,12-16H2.
What are the key properties of 4-[[1-(3-phenylpropyl)piperidin-4-yl]amino]chromen-2-one?
4-[[1-(3-phenylpropyl)piperidin-4-yl]amino]chromen-2-one has a molecular weight of 362.47 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(3-phenylpropyl)piperidin-4-yl]amino]chromen-2-one is sourced from PubChem (CID 6453062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).