[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-piperazin-1-ylmethanone

C21H20N2O3 — CID 24949710

IUPAC[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-piperazin-1-ylmethanone
SMILESO=C(c1c(O)ccc2cc(-c3cccc(O)c3)ccc12)N1CCNCC1
InChIInChI=1S/C21H20N2O3/c24-17-3-1-2-14(13-17)15-4-6-18-16(12-15)5-7-19(25)20(18)21(26)23-10-8-22-9-11-23/h1-7,12-13,22,24-25H,8-11H2
InChIKeyVDNQZYGYULKQRK-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.96
Rot. Bonds2

About [2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-piperazin-1-ylmethanone

[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-piperazin-1-ylmethanone (PubChem CID 24949710) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is [2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-piperazin-1-ylmethanone
PubChem CID24949710
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-piperazin-1-ylmethanone
SMILESO=C(c1c(O)ccc2cc(-c3cccc(O)c3)ccc12)N1CCNCC1
InChIInChI=1S/C21H20N2O3/c24-17-3-1-2-14(13-17)15-4-6-18-16(12-15)5-7-19(25)20(18)21(26)23-10-8-22-9-11-23/h1-7,12-13,22,24-25H,8-11H2
InChIKeyVDNQZYGYULKQRK-UHFFFAOYSA-N
XLogP2.96
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-piperazin-1-ylmethanone?
The IUPAC name of [2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-piperazin-1-ylmethanone (CID 24949710) is [2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-piperazin-1-ylmethanone is O=C(c1c(O)ccc2cc(-c3cccc(O)c3)ccc12)N1CCNCC1.
What is the InChIKey of [2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-piperazin-1-ylmethanone?
The InChIKey is VDNQZYGYULKQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c24-17-3-1-2-14(13-17)15-4-6-18-16(12-15)5-7-19(25)20(18)21(26)23-10-8-22-9-11-23/h1-7,12-13,22,24-25H,8-11H2.
What are the key properties of [2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-piperazin-1-ylmethanone?
[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-piperazin-1-ylmethanone has a molecular weight of 348.40 g/mol, XLogP of 2.96, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 24949710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).