[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone

C33H35NO4 — CID 19362248

IUPAC[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone
SMILESCOc1cccc(-c2ccc3cc(OC)ccc3c2C(=O)c2ccc(OCCCN3CCCCC3)cc2)c1
InChIInChI=1S/C33H35NO4/c1-36-28-9-6-8-25(22-28)30-16-12-26-23-29(37-2)15-17-31(26)32(30)33(35)24-10-13-27(14-11-24)38-21-7-20-34-18-4-3-5-19-34/h6,8-17,22-23H,3-5,7,18-21H2,1-2H3
InChIKeyMULDSGLLVPOCFA-UHFFFAOYSA-N
MW509.65 g/mol
LogP7.01
Rot. Bonds10

About [6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone

[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone (PubChem CID 19362248) has the molecular formula C33H35NO4 and a molecular weight of 509.65 g/mol. Its IUPAC name is [6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone.

Molecular Properties

Compound Name[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone
PubChem CID19362248
Molecular FormulaC33H35NO4
Molecular Weight509.65 g/mol
Exact Mass509.26
IUPAC Name[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone
SMILESCOc1cccc(-c2ccc3cc(OC)ccc3c2C(=O)c2ccc(OCCCN3CCCCC3)cc2)c1
InChIInChI=1S/C33H35NO4/c1-36-28-9-6-8-25(22-28)30-16-12-26-23-29(37-2)15-17-31(26)32(30)33(35)24-10-13-27(14-11-24)38-21-7-20-34-18-4-3-5-19-34/h6,8-17,22-23H,3-5,7,18-21H2,1-2H3
InChIKeyMULDSGLLVPOCFA-UHFFFAOYSA-N
XLogP7.01
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.65
LogP ≤ 57.01
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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Frequently Asked Questions

What is the IUPAC name of [6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone?
The IUPAC name of [6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone (CID 19362248) is [6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone.
What is the SMILES notation for [6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone?
The canonical SMILES for [6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone is COc1cccc(-c2ccc3cc(OC)ccc3c2C(=O)c2ccc(OCCCN3CCCCC3)cc2)c1.
What is the InChIKey of [6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone?
The InChIKey is MULDSGLLVPOCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35NO4/c1-36-28-9-6-8-25(22-28)30-16-12-26-23-29(37-2)15-17-31(26)32(30)33(35)24-10-13-27(14-11-24)38-21-7-20-34-18-4-3-5-19-34/h6,8-17,22-23H,3-5,7,18-21H2,1-2H3.
What are the key properties of [6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone?
[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone has a molecular weight of 509.65 g/mol, XLogP of 7.01, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone is sourced from PubChem (CID 19362248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).