7-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]chromen-2-one

C15H18N2O3 — CID 174862975

IUPAC7-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]chromen-2-one
SMILESCN1CCN(Cc2cc(=O)oc3cc(O)ccc23)CC1
InChIInChI=1S/C15H18N2O3/c1-16-4-6-17(7-5-16)10-11-8-15(19)20-14-9-12(18)2-3-13(11)14/h2-3,8-9,18H,4-7,10H2,1H3
InChIKeyKEUCZMVLFFWJDE-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.25
Rot. Bonds2

About 7-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]chromen-2-one

7-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]chromen-2-one (PubChem CID 174862975) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 7-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]chromen-2-one.

Molecular Properties

Compound Name7-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]chromen-2-one
PubChem CID174862975
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name7-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]chromen-2-one
SMILESCN1CCN(Cc2cc(=O)oc3cc(O)ccc23)CC1
InChIInChI=1S/C15H18N2O3/c1-16-4-6-17(7-5-16)10-11-8-15(19)20-14-9-12(18)2-3-13(11)14/h2-3,8-9,18H,4-7,10H2,1H3
InChIKeyKEUCZMVLFFWJDE-UHFFFAOYSA-N
XLogP1.25
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(7-hydroxy-2-oxochromen-4-yl)methyl]piperazin-2-one
CID 27215307
4-[(4,4-difluoro-3,5-dimethylpiperidin-1-yl)methyl]-7-hydroxychromen-2-one
CID 139020957
4-[[(3R)-3-aminopiperidin-1-yl]methyl]-7-hydroxychromen-2-one
CID 102985143
7-hydroxy-4-[[5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]chromen-2-one
CID 139014900
4-(bromomethyl)-7-hydroxychromen-2-one
CID 5465897
4-[[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]methyl]-7-hydroxychromen-2-one
CID 167821157
7-hydroxy-4-(spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylmethyl)chromen-2-one
CID 138992779
7-methyl-4-[[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]methyl]chromen-2-one
CID 34725525
methyl 2-(7-hydroxy-2-oxochromen-4-yl)acetate
CID 5395514
(1S,9R)-11-[(7-hydroxy-2-oxochromen-4-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 71754530
7-hydroxy-4-[[(2-hydroxyphenyl)methyl-methylamino]methyl]chromen-2-one
CID 154798950
4-[[cyclobutyl(methyl)amino]methyl]-7-hydroxychromen-2-one
CID 139011442

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]chromen-2-one?
The IUPAC name of 7-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]chromen-2-one (CID 174862975) is 7-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]chromen-2-one.
What is the SMILES notation for 7-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]chromen-2-one?
The canonical SMILES for 7-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]chromen-2-one is CN1CCN(Cc2cc(=O)oc3cc(O)ccc23)CC1.
What is the InChIKey of 7-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]chromen-2-one?
The InChIKey is KEUCZMVLFFWJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-16-4-6-17(7-5-16)10-11-8-15(19)20-14-9-12(18)2-3-13(11)14/h2-3,8-9,18H,4-7,10H2,1H3.
What are the key properties of 7-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]chromen-2-one?
7-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]chromen-2-one has a molecular weight of 274.32 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]chromen-2-one is sourced from PubChem (CID 174862975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).