3,5,7-trihydroxy-8-methoxy-2-(4-piperidin-1-ylphenyl)chromen-4-one

C21H21NO6 — CID 165142376

IUPAC3,5,7-trihydroxy-8-methoxy-2-(4-piperidin-1-ylphenyl)chromen-4-one
SMILESCOc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(N4CCCCC4)cc3)oc12
InChIInChI=1S/C21H21NO6/c1-27-20-15(24)11-14(23)16-17(25)18(26)19(28-21(16)20)12-5-7-13(8-6-12)22-9-3-2-4-10-22/h5-8,11,23-24,26H,2-4,9-10H2,1H3
InChIKeyGXTWREAVDNUDQQ-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.58
Rot. Bonds3

About 3,5,7-trihydroxy-8-methoxy-2-(4-piperidin-1-ylphenyl)chromen-4-one

3,5,7-trihydroxy-8-methoxy-2-(4-piperidin-1-ylphenyl)chromen-4-one (PubChem CID 165142376) has the molecular formula C21H21NO6 and a molecular weight of 383.40 g/mol. Its IUPAC name is 3,5,7-trihydroxy-8-methoxy-2-(4-piperidin-1-ylphenyl)chromen-4-one.

Molecular Properties

Compound Name3,5,7-trihydroxy-8-methoxy-2-(4-piperidin-1-ylphenyl)chromen-4-one
PubChem CID165142376
Molecular FormulaC21H21NO6
Molecular Weight383.40 g/mol
Exact Mass383.14
IUPAC Name3,5,7-trihydroxy-8-methoxy-2-(4-piperidin-1-ylphenyl)chromen-4-one
SMILESCOc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(N4CCCCC4)cc3)oc12
InChIInChI=1S/C21H21NO6/c1-27-20-15(24)11-14(23)16-17(25)18(26)19(28-21(16)20)12-5-7-13(8-6-12)22-9-3-2-4-10-22/h5-8,11,23-24,26H,2-4,9-10H2,1H3
InChIKeyGXTWREAVDNUDQQ-UHFFFAOYSA-N
XLogP3.58
TPSA103.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3,5,7-trihydroxy-8-methoxy-2-[4-(4-methylpiperazin-1-yl)phenyl]chromen-4-one
CID 165142365
2-(2,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-8-methoxychromen-4-one
CID 163060449
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-methoxy-4-oxochromen-3-olate
CID 25201769
3,5,7,8-tetrahydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one
CID 90744052
3,5,7,8-tetrahydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
CID 15907673
3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(3,5,6-trihydroxy-4-methyloxepan-2-yl)oxychromen-4-one
CID 89113943
3,6-dihydroxy-5,7,8-trimethoxy-2-(4-methoxyphenyl)chromen-4-one
CID 10643114
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-methoxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
CID 52938939
3,5,8-trihydroxy-6,7-dimethoxy-2-phenylchromen-4-one
CID 70253991
(5,7-dihydroxy-3-methoxy-4-oxo-2-phenylchromen-8-yl) (Z)-2-methylbut-2-enoate
CID 14583402
3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(2-methylprop-1-enyl)chromen-4-one
CID 11645805
2-[3,5,7-trihydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]acetamide
CID 126595540

Frequently Asked Questions

What is the IUPAC name of 3,5,7-trihydroxy-8-methoxy-2-(4-piperidin-1-ylphenyl)chromen-4-one?
The IUPAC name of 3,5,7-trihydroxy-8-methoxy-2-(4-piperidin-1-ylphenyl)chromen-4-one (CID 165142376) is 3,5,7-trihydroxy-8-methoxy-2-(4-piperidin-1-ylphenyl)chromen-4-one.
What is the SMILES notation for 3,5,7-trihydroxy-8-methoxy-2-(4-piperidin-1-ylphenyl)chromen-4-one?
The canonical SMILES for 3,5,7-trihydroxy-8-methoxy-2-(4-piperidin-1-ylphenyl)chromen-4-one is COc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(N4CCCCC4)cc3)oc12.
What is the InChIKey of 3,5,7-trihydroxy-8-methoxy-2-(4-piperidin-1-ylphenyl)chromen-4-one?
The InChIKey is GXTWREAVDNUDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO6/c1-27-20-15(24)11-14(23)16-17(25)18(26)19(28-21(16)20)12-5-7-13(8-6-12)22-9-3-2-4-10-22/h5-8,11,23-24,26H,2-4,9-10H2,1H3.
What are the key properties of 3,5,7-trihydroxy-8-methoxy-2-(4-piperidin-1-ylphenyl)chromen-4-one?
3,5,7-trihydroxy-8-methoxy-2-(4-piperidin-1-ylphenyl)chromen-4-one has a molecular weight of 383.40 g/mol, XLogP of 3.58, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7-trihydroxy-8-methoxy-2-(4-piperidin-1-ylphenyl)chromen-4-one is sourced from PubChem (CID 165142376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).