6-[(4-phenylpiperazin-1-yl)methyl]chromen-2-one

C20H20N2O2 — CID 10781960

IUPAC6-[(4-phenylpiperazin-1-yl)methyl]chromen-2-one
SMILESO=c1ccc2cc(CN3CCN(c4ccccc4)CC3)ccc2o1
InChIInChI=1S/C20H20N2O2/c23-20-9-7-17-14-16(6-8-19(17)24-20)15-21-10-12-22(13-11-21)18-4-2-1-3-5-18/h1-9,14H,10-13,15H2
InChIKeyIXHKEYPHQWBTCK-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.12
Rot. Bonds3

About 6-[(4-phenylpiperazin-1-yl)methyl]chromen-2-one

6-[(4-phenylpiperazin-1-yl)methyl]chromen-2-one (PubChem CID 10781960) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 6-[(4-phenylpiperazin-1-yl)methyl]chromen-2-one.

Molecular Properties

Compound Name6-[(4-phenylpiperazin-1-yl)methyl]chromen-2-one
PubChem CID10781960
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name6-[(4-phenylpiperazin-1-yl)methyl]chromen-2-one
SMILESO=c1ccc2cc(CN3CCN(c4ccccc4)CC3)ccc2o1
InChIInChI=1S/C20H20N2O2/c23-20-9-7-17-14-16(6-8-19(17)24-20)15-21-10-12-22(13-11-21)18-4-2-1-3-5-18/h1-9,14H,10-13,15H2
InChIKeyIXHKEYPHQWBTCK-UHFFFAOYSA-N
XLogP3.12
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

LD 490
CID 94022
7-[(2-Phenylamino-ethylamino)-methyl]-chromen-2-one
CID 9926143
4-Methyl-7-[3-(4-phenyl-piperazin-1-yl)-propoxy]-chromen-2-one
CID 10317514
7-[3-(4-Phenyl-piperazin-1-yl)-propoxy]-chromen-2-one
CID 9976024
3-(4-phenylpiperazine-1-carbonyl)-2H-chromen-2-one
CID 709819
6-Methyl-4-(4-o-tolylpiperazin-1-yl)coumarin
CID 44561860
3-Methyl-7-[3-(4-phenyl-piperazin-1-yl)-propoxy]-chromen-2-one
CID 10384998
4-{[ethyl(phenyl)amino]methyl}-7-methyl-2H-chromen-2-one
CID 6462220
4-methyl-7-{3-[4-(2-methylphenyl)-1-piperazinyl]propoxy}-2H-chromen-2-one
CID 1820316
7-[4-(4-Fluoro-phenyl)-piperazin-1-ylmethyl]-chromen-2-one
CID 9840797
7-[4-(3,4-Dimethyl-phenyl)-piperazin-1-ylmethyl]-chromen-2-one
CID 9841249
7-(4-Phenyl-piperazin-1-ylmethyl)-chromen-2-one
CID 9883552

Frequently Asked Questions

What is the IUPAC name of 6-[(4-phenylpiperazin-1-yl)methyl]chromen-2-one?
The IUPAC name of 6-[(4-phenylpiperazin-1-yl)methyl]chromen-2-one (CID 10781960) is 6-[(4-phenylpiperazin-1-yl)methyl]chromen-2-one.
What is the SMILES notation for 6-[(4-phenylpiperazin-1-yl)methyl]chromen-2-one?
The canonical SMILES for 6-[(4-phenylpiperazin-1-yl)methyl]chromen-2-one is O=c1ccc2cc(CN3CCN(c4ccccc4)CC3)ccc2o1.
What is the InChIKey of 6-[(4-phenylpiperazin-1-yl)methyl]chromen-2-one?
The InChIKey is IXHKEYPHQWBTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c23-20-9-7-17-14-16(6-8-19(17)24-20)15-21-10-12-22(13-11-21)18-4-2-1-3-5-18/h1-9,14H,10-13,15H2.
What are the key properties of 6-[(4-phenylpiperazin-1-yl)methyl]chromen-2-one?
6-[(4-phenylpiperazin-1-yl)methyl]chromen-2-one has a molecular weight of 320.39 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-phenylpiperazin-1-yl)methyl]chromen-2-one is sourced from PubChem (CID 10781960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).