4-[(7-hydroxy-2-oxochromen-4-yl)methyl]piperazin-2-one

C14H14N2O4 — CID 27215307

IUPAC4-[(7-hydroxy-2-oxochromen-4-yl)methyl]piperazin-2-one
SMILESO=C1CN(Cc2cc(=O)oc3cc(O)ccc23)CCN1
InChIInChI=1S/C14H14N2O4/c17-10-1-2-11-9(5-14(19)20-12(11)6-10)7-16-4-3-15-13(18)8-16/h1-2,5-6,17H,3-4,7-8H2,(H,15,18)
InChIKeyODAPSZPYLJCVCA-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.43
Rot. Bonds2

About 4-[(7-hydroxy-2-oxochromen-4-yl)methyl]piperazin-2-one

4-[(7-hydroxy-2-oxochromen-4-yl)methyl]piperazin-2-one (PubChem CID 27215307) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 4-[(7-hydroxy-2-oxochromen-4-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(7-hydroxy-2-oxochromen-4-yl)methyl]piperazin-2-one
PubChem CID27215307
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name4-[(7-hydroxy-2-oxochromen-4-yl)methyl]piperazin-2-one
SMILESO=C1CN(Cc2cc(=O)oc3cc(O)ccc23)CCN1
InChIInChI=1S/C14H14N2O4/c17-10-1-2-11-9(5-14(19)20-12(11)6-10)7-16-4-3-15-13(18)8-16/h1-2,5-6,17H,3-4,7-8H2,(H,15,18)
InChIKeyODAPSZPYLJCVCA-UHFFFAOYSA-N
XLogP0.43
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.43
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

4-[(7-methoxy-2-oxochromen-4-yl)methyl]piperazin-2-one
CID 2657102
7-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]chromen-2-one
CID 174862975
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-[(4,4-difluoro-3,5-dimethylpiperidin-1-yl)methyl]-7-hydroxychromen-2-one
CID 139020957
4-(bromomethyl)-7-hydroxychromen-2-one
CID 5465897
3-(piperazin-1-ylmethyl)-1-benzofuran-6-ol
CID 117177562
(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-(spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylmethyl)chromen-2-one
CID 138992779
4-(1,3-benzoxazol-2-ylmethyl)piperazin-2-one
CID 9348529
4-[[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]methyl]-7-hydroxychromen-2-one
CID 167821157
4-[[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-7-hydroxychromen-2-one
CID 9002494

Frequently Asked Questions

What is the IUPAC name of 4-[(7-hydroxy-2-oxochromen-4-yl)methyl]piperazin-2-one?
The IUPAC name of 4-[(7-hydroxy-2-oxochromen-4-yl)methyl]piperazin-2-one (CID 27215307) is 4-[(7-hydroxy-2-oxochromen-4-yl)methyl]piperazin-2-one.
What is the SMILES notation for 4-[(7-hydroxy-2-oxochromen-4-yl)methyl]piperazin-2-one?
The canonical SMILES for 4-[(7-hydroxy-2-oxochromen-4-yl)methyl]piperazin-2-one is O=C1CN(Cc2cc(=O)oc3cc(O)ccc23)CCN1.
What is the InChIKey of 4-[(7-hydroxy-2-oxochromen-4-yl)methyl]piperazin-2-one?
The InChIKey is ODAPSZPYLJCVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c17-10-1-2-11-9(5-14(19)20-12(11)6-10)7-16-4-3-15-13(18)8-16/h1-2,5-6,17H,3-4,7-8H2,(H,15,18).
What are the key properties of 4-[(7-hydroxy-2-oxochromen-4-yl)methyl]piperazin-2-one?
4-[(7-hydroxy-2-oxochromen-4-yl)methyl]piperazin-2-one has a molecular weight of 274.28 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-hydroxy-2-oxochromen-4-yl)methyl]piperazin-2-one is sourced from PubChem (CID 27215307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).