6-[(1-methylpiperidin-3-yl)-phenylmethoxy]chromen-4-one

C22H23NO3 — CID 21287508

IUPAC6-[(1-methylpiperidin-3-yl)-phenylmethoxy]chromen-4-one
SMILESCN1CCCC(C(Oc2ccc3occc(=O)c3c2)c2ccccc2)C1
InChIInChI=1S/C22H23NO3/c1-23-12-5-8-17(15-23)22(16-6-3-2-4-7-16)26-18-9-10-21-19(14-18)20(24)11-13-25-21/h2-4,6-7,9-11,13-14,17,22H,5,8,12,15H2,1H3
InChIKeyARRGZNJCMZYHGH-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.25
Rot. Bonds4

About 6-[(1-methylpiperidin-3-yl)-phenylmethoxy]chromen-4-one

6-[(1-methylpiperidin-3-yl)-phenylmethoxy]chromen-4-one (PubChem CID 21287508) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is 6-[(1-methylpiperidin-3-yl)-phenylmethoxy]chromen-4-one.

Molecular Properties

Compound Name6-[(1-methylpiperidin-3-yl)-phenylmethoxy]chromen-4-one
PubChem CID21287508
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Name6-[(1-methylpiperidin-3-yl)-phenylmethoxy]chromen-4-one
SMILESCN1CCCC(C(Oc2ccc3occc(=O)c3c2)c2ccccc2)C1
InChIInChI=1S/C22H23NO3/c1-23-12-5-8-17(15-23)22(16-6-3-2-4-7-16)26-18-9-10-21-19(14-18)20(24)11-13-25-21/h2-4,6-7,9-11,13-14,17,22H,5,8,12,15H2,1H3
InChIKeyARRGZNJCMZYHGH-UHFFFAOYSA-N
XLogP4.25
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[(1-methylpiperidin-3-yl)-phenylmethoxy]chromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(1-methylpiperidin-3-yl)-phenylmethoxy]chromen-4-one?
The IUPAC name of 6-[(1-methylpiperidin-3-yl)-phenylmethoxy]chromen-4-one (CID 21287508) is 6-[(1-methylpiperidin-3-yl)-phenylmethoxy]chromen-4-one.
What is the SMILES notation for 6-[(1-methylpiperidin-3-yl)-phenylmethoxy]chromen-4-one?
The canonical SMILES for 6-[(1-methylpiperidin-3-yl)-phenylmethoxy]chromen-4-one is CN1CCCC(C(Oc2ccc3occc(=O)c3c2)c2ccccc2)C1.
What is the InChIKey of 6-[(1-methylpiperidin-3-yl)-phenylmethoxy]chromen-4-one?
The InChIKey is ARRGZNJCMZYHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-23-12-5-8-17(15-23)22(16-6-3-2-4-7-16)26-18-9-10-21-19(14-18)20(24)11-13-25-21/h2-4,6-7,9-11,13-14,17,22H,5,8,12,15H2,1H3.
What are the key properties of 6-[(1-methylpiperidin-3-yl)-phenylmethoxy]chromen-4-one?
6-[(1-methylpiperidin-3-yl)-phenylmethoxy]chromen-4-one has a molecular weight of 349.43 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methylpiperidin-3-yl)-phenylmethoxy]chromen-4-one is sourced from PubChem (CID 21287508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).