(E)-3-[4-(3-ethyl-6-hydroxy-2-phenylnaphthalen-1-yl)oxyphenyl]-1-piperidin-1-ylprop-2-en-1-one

C32H31NO3 — CID 58956878

IUPAC(E)-3-[4-(3-ethyl-6-hydroxy-2-phenylnaphthalen-1-yl)oxyphenyl]-1-piperidin-1-ylprop-2-en-1-one
SMILESCCc1cc2cc(O)ccc2c(Oc2ccc(/C=C/C(=O)N3CCCCC3)cc2)c1-c1ccccc1
InChIInChI=1S/C32H31NO3/c1-2-24-21-26-22-27(34)14-17-29(26)32(31(24)25-9-5-3-6-10-25)36-28-15-11-23(12-16-28)13-18-30(35)33-19-7-4-8-20-33/h3,5-6,9-18,21-22,34H,2,4,7-8,19-20H2,1H3/b18-13+
InChIKeyAVKMTRVNNXNHFJ-QGOAFFKASA-N
MW477.60 g/mol
LogP7.59
Rot. Bonds6

About (E)-3-[4-(3-ethyl-6-hydroxy-2-phenylnaphthalen-1-yl)oxyphenyl]-1-piperidin-1-ylprop-2-en-1-one

(E)-3-[4-(3-ethyl-6-hydroxy-2-phenylnaphthalen-1-yl)oxyphenyl]-1-piperidin-1-ylprop-2-en-1-one (PubChem CID 58956878) has the molecular formula C32H31NO3 and a molecular weight of 477.60 g/mol. Its IUPAC name is (E)-3-[4-(3-ethyl-6-hydroxy-2-phenylnaphthalen-1-yl)oxyphenyl]-1-piperidin-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[4-(3-ethyl-6-hydroxy-2-phenylnaphthalen-1-yl)oxyphenyl]-1-piperidin-1-ylprop-2-en-1-one
PubChem CID58956878
Molecular FormulaC32H31NO3
Molecular Weight477.60 g/mol
Exact Mass477.23
IUPAC Name(E)-3-[4-(3-ethyl-6-hydroxy-2-phenylnaphthalen-1-yl)oxyphenyl]-1-piperidin-1-ylprop-2-en-1-one
SMILESCCc1cc2cc(O)ccc2c(Oc2ccc(/C=C/C(=O)N3CCCCC3)cc2)c1-c1ccccc1
InChIInChI=1S/C32H31NO3/c1-2-24-21-26-22-27(34)14-17-29(26)32(31(24)25-9-5-3-6-10-25)36-28-15-11-23(12-16-28)13-18-30(35)33-19-7-4-8-20-33/h3,5-6,9-18,21-22,34H,2,4,7-8,19-20H2,1H3/b18-13+
InChIKeyAVKMTRVNNXNHFJ-QGOAFFKASA-N
XLogP7.59
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.60
LogP ≤ 57.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-[4-(3-ethyl-6-hydroxy-2-phenylnaphthalen-1-yl)oxyphenyl]-1-piperidin-1-ylprop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(3-ethyl-6-hydroxy-2-phenylnaphthalen-1-yl)oxyphenyl]-1-piperidin-1-ylprop-2-en-1-one?
The IUPAC name of (E)-3-[4-(3-ethyl-6-hydroxy-2-phenylnaphthalen-1-yl)oxyphenyl]-1-piperidin-1-ylprop-2-en-1-one (CID 58956878) is (E)-3-[4-(3-ethyl-6-hydroxy-2-phenylnaphthalen-1-yl)oxyphenyl]-1-piperidin-1-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-[4-(3-ethyl-6-hydroxy-2-phenylnaphthalen-1-yl)oxyphenyl]-1-piperidin-1-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-[4-(3-ethyl-6-hydroxy-2-phenylnaphthalen-1-yl)oxyphenyl]-1-piperidin-1-ylprop-2-en-1-one is CCc1cc2cc(O)ccc2c(Oc2ccc(/C=C/C(=O)N3CCCCC3)cc2)c1-c1ccccc1.
What is the InChIKey of (E)-3-[4-(3-ethyl-6-hydroxy-2-phenylnaphthalen-1-yl)oxyphenyl]-1-piperidin-1-ylprop-2-en-1-one?
The InChIKey is AVKMTRVNNXNHFJ-QGOAFFKASA-N. The full InChI is InChI=1S/C32H31NO3/c1-2-24-21-26-22-27(34)14-17-29(26)32(31(24)25-9-5-3-6-10-25)36-28-15-11-23(12-16-28)13-18-30(35)33-19-7-4-8-20-33/h3,5-6,9-18,21-22,34H,2,4,7-8,19-20H2,1H3/b18-13+.
What are the key properties of (E)-3-[4-(3-ethyl-6-hydroxy-2-phenylnaphthalen-1-yl)oxyphenyl]-1-piperidin-1-ylprop-2-en-1-one?
(E)-3-[4-(3-ethyl-6-hydroxy-2-phenylnaphthalen-1-yl)oxyphenyl]-1-piperidin-1-ylprop-2-en-1-one has a molecular weight of 477.60 g/mol, XLogP of 7.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(3-ethyl-6-hydroxy-2-phenylnaphthalen-1-yl)oxyphenyl]-1-piperidin-1-ylprop-2-en-1-one is sourced from PubChem (CID 58956878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).