6-methyl-3-[[2-(2-piperidin-2-ylethoxy)phenyl]methyl]chromen-2-one

C24H27NO3 — CID 173164904

IUPAC6-methyl-3-[[2-(2-piperidin-2-ylethoxy)phenyl]methyl]chromen-2-one
SMILESCc1ccc2oc(=O)c(Cc3ccccc3OCCC3CCCCN3)cc2c1
InChIInChI=1S/C24H27NO3/c1-17-9-10-23-19(14-17)16-20(24(26)28-23)15-18-6-2-3-8-22(18)27-13-11-21-7-4-5-12-25-21/h2-3,6,8-10,14,16,21,25H,4-5,7,11-13,15H2,1H3
InChIKeyOLRXZENWBBUJAY-UHFFFAOYSA-N
MW377.48 g/mol
LogP4.60
Rot. Bonds6

About 6-methyl-3-[[2-(2-piperidin-2-ylethoxy)phenyl]methyl]chromen-2-one

6-methyl-3-[[2-(2-piperidin-2-ylethoxy)phenyl]methyl]chromen-2-one (PubChem CID 173164904) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is 6-methyl-3-[[2-(2-piperidin-2-ylethoxy)phenyl]methyl]chromen-2-one.

Molecular Properties

Compound Name6-methyl-3-[[2-(2-piperidin-2-ylethoxy)phenyl]methyl]chromen-2-one
PubChem CID173164904
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Name6-methyl-3-[[2-(2-piperidin-2-ylethoxy)phenyl]methyl]chromen-2-one
SMILESCc1ccc2oc(=O)c(Cc3ccccc3OCCC3CCCCN3)cc2c1
InChIInChI=1S/C24H27NO3/c1-17-9-10-23-19(14-17)16-20(24(26)28-23)15-18-6-2-3-8-22(18)27-13-11-21-7-4-5-12-25-21/h2-3,6,8-10,14,16,21,25H,4-5,7,11-13,15H2,1H3
InChIKeyOLRXZENWBBUJAY-UHFFFAOYSA-N
XLogP4.60
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-3-[[2-(3-piperidin-3-ylpropoxy)phenyl]methyl]chromen-2-one
CID 173167257
(2S)-2-[2-(2,5-dimethylphenoxy)ethyl]piperidine
CID 28749787
(2S)-2-[2-(2-bromo-4-methylphenoxy)ethyl]piperidine
CID 86320918
(2S)-2-[2-(4-methyl-2-nitrophenoxy)ethyl]piperidine
CID 86321509
2-[2-(2-propan-2-ylphenoxy)ethyl]piperidine
CID 43149996
2-[2-[2-(2,5-dimethylphenoxy)ethoxy]ethyl]piperidine
CID 82354042
2-[2-(2-phenylphenoxy)ethyl]piperidine
CID 43149968
ethyl 2-[2-[(2R)-piperidin-2-yl]ethoxy]benzoate
CID 86320486
2-[2-[2-(5-phenylpentyl)phenoxy]ethyl]pyrrolidine
CID 142647232
2-[(2-propoxyphenyl)methyl]piperidine
CID 104662380
2-[2-(2,3-dimethoxyphenoxy)ethyl]piperidine
CID 112500840
2-[2-(3-methylphenoxy)ethyl]pyrrolidine
CID 23339440

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[[2-(2-piperidin-2-ylethoxy)phenyl]methyl]chromen-2-one?
The IUPAC name of 6-methyl-3-[[2-(2-piperidin-2-ylethoxy)phenyl]methyl]chromen-2-one (CID 173164904) is 6-methyl-3-[[2-(2-piperidin-2-ylethoxy)phenyl]methyl]chromen-2-one.
What is the SMILES notation for 6-methyl-3-[[2-(2-piperidin-2-ylethoxy)phenyl]methyl]chromen-2-one?
The canonical SMILES for 6-methyl-3-[[2-(2-piperidin-2-ylethoxy)phenyl]methyl]chromen-2-one is Cc1ccc2oc(=O)c(Cc3ccccc3OCCC3CCCCN3)cc2c1.
What is the InChIKey of 6-methyl-3-[[2-(2-piperidin-2-ylethoxy)phenyl]methyl]chromen-2-one?
The InChIKey is OLRXZENWBBUJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c1-17-9-10-23-19(14-17)16-20(24(26)28-23)15-18-6-2-3-8-22(18)27-13-11-21-7-4-5-12-25-21/h2-3,6,8-10,14,16,21,25H,4-5,7,11-13,15H2,1H3.
What are the key properties of 6-methyl-3-[[2-(2-piperidin-2-ylethoxy)phenyl]methyl]chromen-2-one?
6-methyl-3-[[2-(2-piperidin-2-ylethoxy)phenyl]methyl]chromen-2-one has a molecular weight of 377.48 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[[2-(2-piperidin-2-ylethoxy)phenyl]methyl]chromen-2-one is sourced from PubChem (CID 173164904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).