3-[4-[6-hydroxy-2-(3-hydroxyphenyl)naphthalen-1-yl]oxyphenyl]-N-piperidin-1-ylprop-2-enamide

C30H28N2O4 — CID 70016084

IUPAC3-[4-[6-hydroxy-2-(3-hydroxyphenyl)naphthalen-1-yl]oxyphenyl]-N-piperidin-1-ylprop-2-enamide
SMILESO=C(C=Cc1ccc(Oc2c(-c3cccc(O)c3)ccc3cc(O)ccc23)cc1)NN1CCCCC1
InChIInChI=1S/C30H28N2O4/c33-24-6-4-5-22(19-24)27-14-10-23-20-25(34)11-15-28(23)30(27)36-26-12-7-21(8-13-26)9-16-29(35)31-32-17-2-1-3-18-32/h4-16,19-20,33-34H,1-3,17-18H2,(H,31,35)
InChIKeyQYRWMSWBCYSAAE-UHFFFAOYSA-N
MW480.56 g/mol
LogP6.24
Rot. Bonds6

About 3-[4-[6-hydroxy-2-(3-hydroxyphenyl)naphthalen-1-yl]oxyphenyl]-N-piperidin-1-ylprop-2-enamide

3-[4-[6-hydroxy-2-(3-hydroxyphenyl)naphthalen-1-yl]oxyphenyl]-N-piperidin-1-ylprop-2-enamide (PubChem CID 70016084) has the molecular formula C30H28N2O4 and a molecular weight of 480.56 g/mol. Its IUPAC name is 3-[4-[6-hydroxy-2-(3-hydroxyphenyl)naphthalen-1-yl]oxyphenyl]-N-piperidin-1-ylprop-2-enamide.

Molecular Properties

Compound Name3-[4-[6-hydroxy-2-(3-hydroxyphenyl)naphthalen-1-yl]oxyphenyl]-N-piperidin-1-ylprop-2-enamide
PubChem CID70016084
Molecular FormulaC30H28N2O4
Molecular Weight480.56 g/mol
Exact Mass480.20
IUPAC Name3-[4-[6-hydroxy-2-(3-hydroxyphenyl)naphthalen-1-yl]oxyphenyl]-N-piperidin-1-ylprop-2-enamide
SMILESO=C(C=Cc1ccc(Oc2c(-c3cccc(O)c3)ccc3cc(O)ccc23)cc1)NN1CCCCC1
InChIInChI=1S/C30H28N2O4/c33-24-6-4-5-22(19-24)27-14-10-23-20-25(34)11-15-28(23)30(27)36-26-12-7-21(8-13-26)9-16-29(35)31-32-17-2-1-3-18-32/h4-16,19-20,33-34H,1-3,17-18H2,(H,31,35)
InChIKeyQYRWMSWBCYSAAE-UHFFFAOYSA-N
XLogP6.24
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.56
LogP ≤ 56.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[6-hydroxy-2-(3-hydroxyphenyl)naphthalen-1-yl]oxyphenyl]-N-piperidin-1-ylprop-2-enamide?
The IUPAC name of 3-[4-[6-hydroxy-2-(3-hydroxyphenyl)naphthalen-1-yl]oxyphenyl]-N-piperidin-1-ylprop-2-enamide (CID 70016084) is 3-[4-[6-hydroxy-2-(3-hydroxyphenyl)naphthalen-1-yl]oxyphenyl]-N-piperidin-1-ylprop-2-enamide.
What is the SMILES notation for 3-[4-[6-hydroxy-2-(3-hydroxyphenyl)naphthalen-1-yl]oxyphenyl]-N-piperidin-1-ylprop-2-enamide?
The canonical SMILES for 3-[4-[6-hydroxy-2-(3-hydroxyphenyl)naphthalen-1-yl]oxyphenyl]-N-piperidin-1-ylprop-2-enamide is O=C(C=Cc1ccc(Oc2c(-c3cccc(O)c3)ccc3cc(O)ccc23)cc1)NN1CCCCC1.
What is the InChIKey of 3-[4-[6-hydroxy-2-(3-hydroxyphenyl)naphthalen-1-yl]oxyphenyl]-N-piperidin-1-ylprop-2-enamide?
The InChIKey is QYRWMSWBCYSAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O4/c33-24-6-4-5-22(19-24)27-14-10-23-20-25(34)11-15-28(23)30(27)36-26-12-7-21(8-13-26)9-16-29(35)31-32-17-2-1-3-18-32/h4-16,19-20,33-34H,1-3,17-18H2,(H,31,35).
What are the key properties of 3-[4-[6-hydroxy-2-(3-hydroxyphenyl)naphthalen-1-yl]oxyphenyl]-N-piperidin-1-ylprop-2-enamide?
3-[4-[6-hydroxy-2-(3-hydroxyphenyl)naphthalen-1-yl]oxyphenyl]-N-piperidin-1-ylprop-2-enamide has a molecular weight of 480.56 g/mol, XLogP of 6.24, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[6-hydroxy-2-(3-hydroxyphenyl)naphthalen-1-yl]oxyphenyl]-N-piperidin-1-ylprop-2-enamide is sourced from PubChem (CID 70016084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).