7-hydroxy-3-methyl-4-[[4-(piperidin-1-ylmethoxy)phenyl]methyl]chromen-2-one

C23H25NO4 — CID 18721849

IUPAC7-hydroxy-3-methyl-4-[[4-(piperidin-1-ylmethoxy)phenyl]methyl]chromen-2-one
SMILESCc1c(Cc2ccc(OCN3CCCCC3)cc2)c2ccc(O)cc2oc1=O
InChIInChI=1S/C23H25NO4/c1-16-21(20-10-7-18(25)14-22(20)28-23(16)26)13-17-5-8-19(9-6-17)27-15-24-11-3-2-4-12-24/h5-10,14,25H,2-4,11-13,15H2,1H3
InChIKeyRKUGFFOXBGDITO-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.22
Rot. Bonds5

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

7-hydroxy-3-methyl-4-[[4-(piperidin-1-ylmethoxy)phenyl]methyl]chromen-2-one (PubChem CID 18721849) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is 7-hydroxy-3-methyl-4-[[4-(piperidin-1-ylmethoxy)phenyl]methyl]chromen-2-one.

Molecular Properties

Compound Name7-hydroxy-3-methyl-4-[[4-(piperidin-1-ylmethoxy)phenyl]methyl]chromen-2-one
PubChem CID18721849
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name7-hydroxy-3-methyl-4-[[4-(piperidin-1-ylmethoxy)phenyl]methyl]chromen-2-one
SMILESCc1c(Cc2ccc(OCN3CCCCC3)cc2)c2ccc(O)cc2oc1=O
InChIInChI=1S/C23H25NO4/c1-16-21(20-10-7-18(25)14-22(20)28-23(16)26)13-17-5-8-19(9-6-17)27-15-24-11-3-2-4-12-24/h5-10,14,25H,2-4,11-13,15H2,1H3
InChIKeyRKUGFFOXBGDITO-UHFFFAOYSA-N
XLogP4.22
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chloro-4-methylphenyl)-7-hydroxy-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]chromen-2-one
CID 18721837
4-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-7-hydroxy-3-[4-methyl-2-(trifluoromethyl)phenyl]chromen-2-one
CID 58882023
3-(4-chlorophenyl)-7-hydroxy-4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]chromen-2-one;hydrochloride
CID 22994356
4-ethyl-7-hydroxy-3-methylchromen-2-one
CID 13309299
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
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
7-hydroxy-4-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-phenylchromen-2-one
CID 10182867
7-hydroxy-3-(4-methylphenyl)-4-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]chromen-2-one
CID 18721853
7-methoxy-3-phenyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]chromen-2-one
CID 15547179
bis(4-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-3-(2-chloro-4-methylphenyl)-7-hydroxychromen-2-one);4-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-3-(2-chloro-5-methylphenyl)-7-hydroxychromen-2-one;4-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-3-(2,6-dichloro-4-methylphenyl)-7-hydroxychromen-2-one;bis(4-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-7-hydroxy-3-(4-methylphenyl)chromen-2-one);4-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-7-hydroxy-3-[4-methyl-2-(trifluoromethyl)phenyl]chromen-2-one
CID 158107046
3-(4-chlorophenyl)-7-hydroxy-4-[4-(3-piperidin-1-ylpropoxy)phenyl]chromen-2-one
CID 10184881
7-methylperoxysulfanyloxy-3-(4-methylphenyl)-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]chromen-2-one
CID 18721859

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-methyl-4-[[4-(piperidin-1-ylmethoxy)phenyl]methyl]chromen-2-one?
The IUPAC name of 7-hydroxy-3-methyl-4-[[4-(piperidin-1-ylmethoxy)phenyl]methyl]chromen-2-one (CID 18721849) is 7-hydroxy-3-methyl-4-[[4-(piperidin-1-ylmethoxy)phenyl]methyl]chromen-2-one.
What is the SMILES notation for 7-hydroxy-3-methyl-4-[[4-(piperidin-1-ylmethoxy)phenyl]methyl]chromen-2-one?
The canonical SMILES for 7-hydroxy-3-methyl-4-[[4-(piperidin-1-ylmethoxy)phenyl]methyl]chromen-2-one is Cc1c(Cc2ccc(OCN3CCCCC3)cc2)c2ccc(O)cc2oc1=O.
What is the InChIKey of 7-hydroxy-3-methyl-4-[[4-(piperidin-1-ylmethoxy)phenyl]methyl]chromen-2-one?
The InChIKey is RKUGFFOXBGDITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c1-16-21(20-10-7-18(25)14-22(20)28-23(16)26)13-17-5-8-19(9-6-17)27-15-24-11-3-2-4-12-24/h5-10,14,25H,2-4,11-13,15H2,1H3.
What are the key properties of 7-hydroxy-3-methyl-4-[[4-(piperidin-1-ylmethoxy)phenyl]methyl]chromen-2-one?
7-hydroxy-3-methyl-4-[[4-(piperidin-1-ylmethoxy)phenyl]methyl]chromen-2-one has a molecular weight of 379.46 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-methyl-4-[[4-(piperidin-1-ylmethoxy)phenyl]methyl]chromen-2-one is sourced from PubChem (CID 18721849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).