7-[2-(1-methylpiperidin-2-yl)ethoxy]-3-phenylchromen-4-one

C23H25NO3 — CID 12918919

IUPAC7-[2-(1-methylpiperidin-2-yl)ethoxy]-3-phenylchromen-4-one
SMILESCN1CCCCC1CCOc1ccc2c(=O)c(-c3ccccc3)coc2c1
InChIInChI=1S/C23H25NO3/c1-24-13-6-5-9-18(24)12-14-26-19-10-11-20-22(15-19)27-16-21(23(20)25)17-7-3-2-4-8-17/h2-4,7-8,10-11,15-16,18H,5-6,9,12-14H2,1H3
InChIKeyCASAZHBXSRAECD-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.71
Rot. Bonds5

About 7-[2-(1-methylpiperidin-2-yl)ethoxy]-3-phenylchromen-4-one

7-[2-(1-methylpiperidin-2-yl)ethoxy]-3-phenylchromen-4-one (PubChem CID 12918919) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 7-[2-(1-methylpiperidin-2-yl)ethoxy]-3-phenylchromen-4-one.

Molecular Properties

Compound Name7-[2-(1-methylpiperidin-2-yl)ethoxy]-3-phenylchromen-4-one
PubChem CID12918919
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name7-[2-(1-methylpiperidin-2-yl)ethoxy]-3-phenylchromen-4-one
SMILESCN1CCCCC1CCOc1ccc2c(=O)c(-c3ccccc3)coc2c1
InChIInChI=1S/C23H25NO3/c1-24-13-6-5-9-18(24)12-14-26-19-10-11-20-22(15-19)27-16-21(23(20)25)17-7-3-2-4-8-17/h2-4,7-8,10-11,15-16,18H,5-6,9,12-14H2,1H3
InChIKeyCASAZHBXSRAECD-UHFFFAOYSA-N
XLogP4.71
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one
CID 7641888
7-(3-methylbutoxy)-3-phenylchromen-4-one
CID 23931723
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
3-phenyl-7-(2-phenylethoxy)chromen-4-one
CID 23878926
3-phenyl-7-(4-piperazin-1-ylbutoxy)chromen-4-one
CID 11090179
7-cyclohexyloxy-3-phenylchromen-4-one
CID 174329821
N-cyclopentyl-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 7641790
7-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one
CID 7641848
7-[2-(1-methylpiperidin-2-yl)ethoxy]-3-phenyl-2,3-dihydrochromen-4-one
CID 21287367
2-(4-oxo-3-phenylchromen-7-yl)oxyacetic acid
CID 15122627
6-(4-oxo-3-phenylchromen-7-yl)oxyhexanoic acid
CID 54129732
6-[2-(1-methylpiperidin-2-yl)ethoxy]chromen-2-one
CID 88650025

Frequently Asked Questions

What is the IUPAC name of 7-[2-(1-methylpiperidin-2-yl)ethoxy]-3-phenylchromen-4-one?
The IUPAC name of 7-[2-(1-methylpiperidin-2-yl)ethoxy]-3-phenylchromen-4-one (CID 12918919) is 7-[2-(1-methylpiperidin-2-yl)ethoxy]-3-phenylchromen-4-one.
What is the SMILES notation for 7-[2-(1-methylpiperidin-2-yl)ethoxy]-3-phenylchromen-4-one?
The canonical SMILES for 7-[2-(1-methylpiperidin-2-yl)ethoxy]-3-phenylchromen-4-one is CN1CCCCC1CCOc1ccc2c(=O)c(-c3ccccc3)coc2c1.
What is the InChIKey of 7-[2-(1-methylpiperidin-2-yl)ethoxy]-3-phenylchromen-4-one?
The InChIKey is CASAZHBXSRAECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c1-24-13-6-5-9-18(24)12-14-26-19-10-11-20-22(15-19)27-16-21(23(20)25)17-7-3-2-4-8-17/h2-4,7-8,10-11,15-16,18H,5-6,9,12-14H2,1H3.
What are the key properties of 7-[2-(1-methylpiperidin-2-yl)ethoxy]-3-phenylchromen-4-one?
7-[2-(1-methylpiperidin-2-yl)ethoxy]-3-phenylchromen-4-one has a molecular weight of 363.46 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(1-methylpiperidin-2-yl)ethoxy]-3-phenylchromen-4-one is sourced from PubChem (CID 12918919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).