8-methyl-7-(1-methylpiperidin-4-yl)oxy-3-phenacylchromen-2-one

C24H25NO4 — CID 122597655

IUPAC8-methyl-7-(1-methylpiperidin-4-yl)oxy-3-phenacylchromen-2-one
SMILESCc1c(OC2CCN(C)CC2)ccc2cc(CC(=O)c3ccccc3)c(=O)oc12
InChIInChI=1S/C24H25NO4/c1-16-22(28-20-10-12-25(2)13-11-20)9-8-18-14-19(24(27)29-23(16)18)15-21(26)17-6-4-3-5-7-17/h3-9,14,20H,10-13,15H2,1-2H3
InChIKeyIVZLDWIFOAZGHL-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.00
Rot. Bonds5

About 8-methyl-7-(1-methylpiperidin-4-yl)oxy-3-phenacylchromen-2-one

8-methyl-7-(1-methylpiperidin-4-yl)oxy-3-phenacylchromen-2-one (PubChem CID 122597655) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is 8-methyl-7-(1-methylpiperidin-4-yl)oxy-3-phenacylchromen-2-one.

Molecular Properties

Compound Name8-methyl-7-(1-methylpiperidin-4-yl)oxy-3-phenacylchromen-2-one
PubChem CID122597655
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Name8-methyl-7-(1-methylpiperidin-4-yl)oxy-3-phenacylchromen-2-one
SMILESCc1c(OC2CCN(C)CC2)ccc2cc(CC(=O)c3ccccc3)c(=O)oc12
InChIInChI=1S/C24H25NO4/c1-16-22(28-20-10-12-25(2)13-11-20)9-8-18-14-19(24(27)29-23(16)18)15-21(26)17-6-4-3-5-7-17/h3-9,14,20H,10-13,15H2,1-2H3
InChIKeyIVZLDWIFOAZGHL-UHFFFAOYSA-N
XLogP4.00
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-7-(1-methylpiperidin-4-yl)oxy-3-phenacylchromen-2-one?
The IUPAC name of 8-methyl-7-(1-methylpiperidin-4-yl)oxy-3-phenacylchromen-2-one (CID 122597655) is 8-methyl-7-(1-methylpiperidin-4-yl)oxy-3-phenacylchromen-2-one.
What is the SMILES notation for 8-methyl-7-(1-methylpiperidin-4-yl)oxy-3-phenacylchromen-2-one?
The canonical SMILES for 8-methyl-7-(1-methylpiperidin-4-yl)oxy-3-phenacylchromen-2-one is Cc1c(OC2CCN(C)CC2)ccc2cc(CC(=O)c3ccccc3)c(=O)oc12.
What is the InChIKey of 8-methyl-7-(1-methylpiperidin-4-yl)oxy-3-phenacylchromen-2-one?
The InChIKey is IVZLDWIFOAZGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c1-16-22(28-20-10-12-25(2)13-11-20)9-8-18-14-19(24(27)29-23(16)18)15-21(26)17-6-4-3-5-7-17/h3-9,14,20H,10-13,15H2,1-2H3.
What are the key properties of 8-methyl-7-(1-methylpiperidin-4-yl)oxy-3-phenacylchromen-2-one?
8-methyl-7-(1-methylpiperidin-4-yl)oxy-3-phenacylchromen-2-one has a molecular weight of 391.47 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-7-(1-methylpiperidin-4-yl)oxy-3-phenacylchromen-2-one is sourced from PubChem (CID 122597655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).