7-methoxy-3-phenyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]chromen-2-one

C30H31NO4 — CID 15547179

IUPAC7-methoxy-3-phenyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]chromen-2-one
SMILESCOc1ccc2c(Cc3ccc(OCCN4CCCCC4)cc3)c(-c3ccccc3)c(=O)oc2c1
InChIInChI=1S/C30H31NO4/c1-33-25-14-15-26-27(29(23-8-4-2-5-9-23)30(32)35-28(26)21-25)20-22-10-12-24(13-11-22)34-19-18-31-16-6-3-7-17-31/h2,4-5,8-15,21H,3,6-7,16-20H2,1H3
InChIKeyPSUWRVGLDRNNNC-UHFFFAOYSA-N
MW469.58 g/mol
LogP5.92
Rot. Bonds8

About 7-methoxy-3-phenyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]chromen-2-one

7-methoxy-3-phenyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]chromen-2-one (PubChem CID 15547179) has the molecular formula C30H31NO4 and a molecular weight of 469.58 g/mol. Its IUPAC name is 7-methoxy-3-phenyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]chromen-2-one.

Molecular Properties

Compound Name7-methoxy-3-phenyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]chromen-2-one
PubChem CID15547179
Molecular FormulaC30H31NO4
Molecular Weight469.58 g/mol
Exact Mass469.23
IUPAC Name7-methoxy-3-phenyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]chromen-2-one
SMILESCOc1ccc2c(Cc3ccc(OCCN4CCCCC4)cc3)c(-c3ccccc3)c(=O)oc2c1
InChIInChI=1S/C30H31NO4/c1-33-25-14-15-26-27(29(23-8-4-2-5-9-23)30(32)35-28(26)21-25)20-22-10-12-24(13-11-22)34-19-18-31-16-6-3-7-17-31/h2,4-5,8-15,21H,3,6-7,16-20H2,1H3
InChIKeyPSUWRVGLDRNNNC-UHFFFAOYSA-N
XLogP5.92
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.58
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-methylperoxysulfanyloxy-3-(4-methylphenyl)-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]chromen-2-one
CID 18721859
3-phenyl-7-(2-piperidin-1-ylethoxy)-4-[4-(2-piperidin-1-ylethoxy)phenyl]chromen-2-one
CID 71817959
7-hydroxy-4-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-phenylchromen-2-one
CID 10182867
3-(4-chlorophenyl)-7-hydroxy-4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]chromen-2-one;hydrochloride
CID 22994356
3-(2-chlorophenyl)-7-hydroxy-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]chromen-2-one;3-(3-chlorophenyl)-7-hydroxy-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]chromen-2-one;7-hydroxy-3-(4-methylphenyl)-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]chromen-2-one
CID 91504785
3-(3-chloro-4-methylphenyl)-7-hydroxy-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]chromen-2-one
CID 18721837
4-(4-hydroxyphenyl)-3-phenyl-7-(2-piperidin-1-ylethoxy)chromen-2-one
CID 71818110
4-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]-7-hydroxy-3-(4-methylphenyl)chromen-2-one;7-methylperoxysulfanyloxy-3-(4-methylphenyl)-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]chromen-2-one
CID 90981102
1-[2-[3-(6-methoxy-2-phenyl-1-benzofuran-3-yl)-4-methylphenoxy]ethyl]piperidine;hydrochloride
CID 67634824
4-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-7-hydroxy-3-[4-methyl-2-(trifluoromethyl)phenyl]chromen-2-one
CID 58882023
7-hydroxy-6-(1-hydroxyethyl)-4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]chromen-2-one
CID 11295852
6-cyclopentyl-7-hydroxy-3-(2-methylphenyl)-4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]chromen-2-one
CID 58913109

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-phenyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]chromen-2-one?
The IUPAC name of 7-methoxy-3-phenyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]chromen-2-one (CID 15547179) is 7-methoxy-3-phenyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]chromen-2-one.
What is the SMILES notation for 7-methoxy-3-phenyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]chromen-2-one?
The canonical SMILES for 7-methoxy-3-phenyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]chromen-2-one is COc1ccc2c(Cc3ccc(OCCN4CCCCC4)cc3)c(-c3ccccc3)c(=O)oc2c1.
What is the InChIKey of 7-methoxy-3-phenyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]chromen-2-one?
The InChIKey is PSUWRVGLDRNNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31NO4/c1-33-25-14-15-26-27(29(23-8-4-2-5-9-23)30(32)35-28(26)21-25)20-22-10-12-24(13-11-22)34-19-18-31-16-6-3-7-17-31/h2,4-5,8-15,21H,3,6-7,16-20H2,1H3.
What are the key properties of 7-methoxy-3-phenyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]chromen-2-one?
7-methoxy-3-phenyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]chromen-2-one has a molecular weight of 469.58 g/mol, XLogP of 5.92, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-phenyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]chromen-2-one is sourced from PubChem (CID 15547179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).