5-methoxy-2-[4-(3-piperidin-1-ylpropoxy)phenyl]chromen-4-one

C24H27NO4 — CID 147416054

IUPAC5-methoxy-2-[4-(3-piperidin-1-ylpropoxy)phenyl]chromen-4-one
SMILESCOc1cccc2oc(-c3ccc(OCCCN4CCCCC4)cc3)cc(=O)c12
InChIInChI=1S/C24H27NO4/c1-27-21-7-5-8-22-24(21)20(26)17-23(29-22)18-9-11-19(12-10-18)28-16-6-15-25-13-3-2-4-14-25/h5,7-12,17H,2-4,6,13-16H2,1H3
InChIKeyDRNYTQRJEBVLEH-UHFFFAOYSA-N
MW393.48 g/mol
LogP4.72
Rot. Bonds7

About 5-methoxy-2-[4-(3-piperidin-1-ylpropoxy)phenyl]chromen-4-one

5-methoxy-2-[4-(3-piperidin-1-ylpropoxy)phenyl]chromen-4-one (PubChem CID 147416054) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is 5-methoxy-2-[4-(3-piperidin-1-ylpropoxy)phenyl]chromen-4-one.

Molecular Properties

Compound Name5-methoxy-2-[4-(3-piperidin-1-ylpropoxy)phenyl]chromen-4-one
PubChem CID147416054
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC Name5-methoxy-2-[4-(3-piperidin-1-ylpropoxy)phenyl]chromen-4-one
SMILESCOc1cccc2oc(-c3ccc(OCCCN4CCCCC4)cc3)cc(=O)c12
InChIInChI=1S/C24H27NO4/c1-27-21-7-5-8-22-24(21)20(26)17-23(29-22)18-9-11-19(12-10-18)28-16-6-15-25-13-3-2-4-14-25/h5,7-12,17H,2-4,6,13-16H2,1H3
InChIKeyDRNYTQRJEBVLEH-UHFFFAOYSA-N
XLogP4.72
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3,5-dimethyl-4-(3-piperidin-1-ylpropoxy)phenyl]-5,7-dimethoxychromen-4-one
CID 135144046
2-(3,4-dimethoxyphenyl)-7-(8-pyrrolidin-1-yloctoxy)chromen-4-one
CID 127036654
2-[4-[3-(dimethylamino)propoxy]phenyl]-5,7-dimethoxychromen-4-one
CID 90681219
6-(6-piperidin-1-ylhexoxy)-2-pyridin-4-ylchromen-4-one
CID 14983050
2-(3,4-dichlorophenyl)-5-methoxychromen-4-one
CID 10041721
5-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 18761939
8-methoxy-3-methyl-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one
CID 11545644
5-hydroxy-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]-2-phenylchromen-4-one
CID 57398925
1,6-bis(2-piperidin-1-ylethoxy)xanthen-9-one
CID 54365368
(2S,3S)-5-methoxy-3-methyl-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-2,3-dihydro-1,4λ6-benzoxathiine 4,4-dioxide
CID 59396748
1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
5-methoxy-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-propylquinazolin-4-one
CID 23151299

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[4-(3-piperidin-1-ylpropoxy)phenyl]chromen-4-one?
The IUPAC name of 5-methoxy-2-[4-(3-piperidin-1-ylpropoxy)phenyl]chromen-4-one (CID 147416054) is 5-methoxy-2-[4-(3-piperidin-1-ylpropoxy)phenyl]chromen-4-one.
What is the SMILES notation for 5-methoxy-2-[4-(3-piperidin-1-ylpropoxy)phenyl]chromen-4-one?
The canonical SMILES for 5-methoxy-2-[4-(3-piperidin-1-ylpropoxy)phenyl]chromen-4-one is COc1cccc2oc(-c3ccc(OCCCN4CCCCC4)cc3)cc(=O)c12.
What is the InChIKey of 5-methoxy-2-[4-(3-piperidin-1-ylpropoxy)phenyl]chromen-4-one?
The InChIKey is DRNYTQRJEBVLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO4/c1-27-21-7-5-8-22-24(21)20(26)17-23(29-22)18-9-11-19(12-10-18)28-16-6-15-25-13-3-2-4-14-25/h5,7-12,17H,2-4,6,13-16H2,1H3.
What are the key properties of 5-methoxy-2-[4-(3-piperidin-1-ylpropoxy)phenyl]chromen-4-one?
5-methoxy-2-[4-(3-piperidin-1-ylpropoxy)phenyl]chromen-4-one has a molecular weight of 393.48 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[4-(3-piperidin-1-ylpropoxy)phenyl]chromen-4-one is sourced from PubChem (CID 147416054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).