3-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethoxy]phenyl]-8-methoxychromen-2-one

C23H23NO6 — CID 42570146

IUPAC3-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethoxy]phenyl]-8-methoxychromen-2-one
SMILESCOc1cccc2cc(-c3ccc(OCC(=O)N4CCC(O)CC4)cc3)c(=O)oc12
InChIInChI=1S/C23H23NO6/c1-28-20-4-2-3-16-13-19(23(27)30-22(16)20)15-5-7-18(8-6-15)29-14-21(26)24-11-9-17(25)10-12-24/h2-8,13,17,25H,9-12,14H2,1H3
InChIKeyAZNFHLBBEOWXOH-UHFFFAOYSA-N
MW409.44 g/mol
LogP2.83
Rot. Bonds5

About 3-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethoxy]phenyl]-8-methoxychromen-2-one

3-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethoxy]phenyl]-8-methoxychromen-2-one (PubChem CID 42570146) has the molecular formula C23H23NO6 and a molecular weight of 409.44 g/mol. Its IUPAC name is 3-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethoxy]phenyl]-8-methoxychromen-2-one.

Molecular Properties

Compound Name3-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethoxy]phenyl]-8-methoxychromen-2-one
PubChem CID42570146
Molecular FormulaC23H23NO6
Molecular Weight409.44 g/mol
Exact Mass409.15
IUPAC Name3-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethoxy]phenyl]-8-methoxychromen-2-one
SMILESCOc1cccc2cc(-c3ccc(OCC(=O)N4CCC(O)CC4)cc3)c(=O)oc12
InChIInChI=1S/C23H23NO6/c1-28-20-4-2-3-16-13-19(23(27)30-22(16)20)15-5-7-18(8-6-15)29-14-21(26)24-11-9-17(25)10-12-24/h2-8,13,17,25H,9-12,14H2,1H3
InChIKeyAZNFHLBBEOWXOH-UHFFFAOYSA-N
XLogP2.83
TPSA89.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethoxy]phenyl]-8-methoxychromen-2-one with MolForge

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

Launch Full Analysis

Related Compounds

8-methoxy-3-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]chromen-2-one
CID 29126866
N-[2-(4-hydroxyphenyl)ethyl]-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide
CID 42507195
8-methoxy-3-phenylchromen-2-one
CID 2195449
2-(2,3-dimethoxyphenoxy)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 39404473
1-[2-[4-(6-methoxy-2-oxochromen-3-yl)phenoxy]acetyl]piperidin-4-one
CID 42534542
3-[4-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethoxy]phenyl]-6-methoxychromen-2-one
CID 45371283
1-[4-[[4-(8-methoxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]amino]-4-oxobutanoyl]piperidine-4-carboxamide
CID 3627023
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55633786
1-(4-aminopiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 82042591
[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate
CID 2361326
3-(azetidine-1-carbonyl)-8-methoxychromen-2-one
CID 2443516
1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-(4-phenylphenoxy)ethanone
CID 90591858

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethoxy]phenyl]-8-methoxychromen-2-one?
The IUPAC name of 3-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethoxy]phenyl]-8-methoxychromen-2-one (CID 42570146) is 3-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethoxy]phenyl]-8-methoxychromen-2-one.
What is the SMILES notation for 3-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethoxy]phenyl]-8-methoxychromen-2-one?
The canonical SMILES for 3-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethoxy]phenyl]-8-methoxychromen-2-one is COc1cccc2cc(-c3ccc(OCC(=O)N4CCC(O)CC4)cc3)c(=O)oc12.
What is the InChIKey of 3-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethoxy]phenyl]-8-methoxychromen-2-one?
The InChIKey is AZNFHLBBEOWXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO6/c1-28-20-4-2-3-16-13-19(23(27)30-22(16)20)15-5-7-18(8-6-15)29-14-21(26)24-11-9-17(25)10-12-24/h2-8,13,17,25H,9-12,14H2,1H3.
What are the key properties of 3-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethoxy]phenyl]-8-methoxychromen-2-one?
3-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethoxy]phenyl]-8-methoxychromen-2-one has a molecular weight of 409.44 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethoxy]phenyl]-8-methoxychromen-2-one is sourced from PubChem (CID 42570146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).