8-methyl-7-[3-(2-methylpiperidin-1-yl)propoxy]-2-phenylchromen-4-one

C25H29NO3 — CID 71602952

IUPAC8-methyl-7-[3-(2-methylpiperidin-1-yl)propoxy]-2-phenylchromen-4-one
SMILESCc1c(OCCCN2CCCCC2C)ccc2c(=O)cc(-c3ccccc3)oc12
InChIInChI=1S/C25H29NO3/c1-18-9-6-7-14-26(18)15-8-16-28-23-13-12-21-22(27)17-24(29-25(21)19(23)2)20-10-4-3-5-11-20/h3-5,10-13,17-18H,6-9,14-16H2,1-2H3
InChIKeyAXLCIPJFRQULIP-UHFFFAOYSA-N
MW391.51 g/mol
LogP5.41
Rot. Bonds6

About 8-methyl-7-[3-(2-methylpiperidin-1-yl)propoxy]-2-phenylchromen-4-one

8-methyl-7-[3-(2-methylpiperidin-1-yl)propoxy]-2-phenylchromen-4-one (PubChem CID 71602952) has the molecular formula C25H29NO3 and a molecular weight of 391.51 g/mol. Its IUPAC name is 8-methyl-7-[3-(2-methylpiperidin-1-yl)propoxy]-2-phenylchromen-4-one.

Molecular Properties

Compound Name8-methyl-7-[3-(2-methylpiperidin-1-yl)propoxy]-2-phenylchromen-4-one
PubChem CID71602952
Molecular FormulaC25H29NO3
Molecular Weight391.51 g/mol
Exact Mass391.21
IUPAC Name8-methyl-7-[3-(2-methylpiperidin-1-yl)propoxy]-2-phenylchromen-4-one
SMILESCc1c(OCCCN2CCCCC2C)ccc2c(=O)cc(-c3ccccc3)oc12
InChIInChI=1S/C25H29NO3/c1-18-9-6-7-14-26(18)15-8-16-28-23-13-12-21-22(27)17-24(29-25(21)19(23)2)20-10-4-3-5-11-20/h3-5,10-13,17-18H,6-9,14-16H2,1-2H3
InChIKeyAXLCIPJFRQULIP-UHFFFAOYSA-N
XLogP5.41
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.51
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-7-[3-(2-methylpiperidin-1-yl)propoxy]-2-phenylchromen-4-one?
The IUPAC name of 8-methyl-7-[3-(2-methylpiperidin-1-yl)propoxy]-2-phenylchromen-4-one (CID 71602952) is 8-methyl-7-[3-(2-methylpiperidin-1-yl)propoxy]-2-phenylchromen-4-one.
What is the SMILES notation for 8-methyl-7-[3-(2-methylpiperidin-1-yl)propoxy]-2-phenylchromen-4-one?
The canonical SMILES for 8-methyl-7-[3-(2-methylpiperidin-1-yl)propoxy]-2-phenylchromen-4-one is Cc1c(OCCCN2CCCCC2C)ccc2c(=O)cc(-c3ccccc3)oc12.
What is the InChIKey of 8-methyl-7-[3-(2-methylpiperidin-1-yl)propoxy]-2-phenylchromen-4-one?
The InChIKey is AXLCIPJFRQULIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO3/c1-18-9-6-7-14-26(18)15-8-16-28-23-13-12-21-22(27)17-24(29-25(21)19(23)2)20-10-4-3-5-11-20/h3-5,10-13,17-18H,6-9,14-16H2,1-2H3.
What are the key properties of 8-methyl-7-[3-(2-methylpiperidin-1-yl)propoxy]-2-phenylchromen-4-one?
8-methyl-7-[3-(2-methylpiperidin-1-yl)propoxy]-2-phenylchromen-4-one has a molecular weight of 391.51 g/mol, XLogP of 5.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-7-[3-(2-methylpiperidin-1-yl)propoxy]-2-phenylchromen-4-one is sourced from PubChem (CID 71602952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).