(4-methoxypiperidin-1-yl)-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone

C25H34N2O3 — CID 11603948

IUPAC(4-methoxypiperidin-1-yl)-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone
SMILESCOC1CCN(C(=O)c2ccc3cc(OCCCN4CCCCC4)ccc3c2)CC1
InChIInChI=1S/C25H34N2O3/c1-29-23-10-15-27(16-11-23)25(28)22-7-6-21-19-24(9-8-20(21)18-22)30-17-5-14-26-12-3-2-4-13-26/h6-9,18-19,23H,2-5,10-17H2,1H3
InChIKeyIBRXYIGWGRVCGF-UHFFFAOYSA-N
MW410.56 g/mol
LogP4.35
Rot. Bonds7

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

(4-methoxypiperidin-1-yl)-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone (PubChem CID 11603948) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is (4-methoxypiperidin-1-yl)-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone.

Molecular Properties

Compound Name(4-methoxypiperidin-1-yl)-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone
PubChem CID11603948
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC Name(4-methoxypiperidin-1-yl)-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone
SMILESCOC1CCN(C(=O)c2ccc3cc(OCCCN4CCCCC4)ccc3c2)CC1
InChIInChI=1S/C25H34N2O3/c1-29-23-10-15-27(16-11-23)25(28)22-7-6-21-19-24(9-8-20(21)18-22)30-17-5-14-26-12-3-2-4-13-26/h6-9,18-19,23H,2-5,10-17H2,1H3
InChIKeyIBRXYIGWGRVCGF-UHFFFAOYSA-N
XLogP4.35
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (4-methoxypiperidin-1-yl)-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone?
The IUPAC name of (4-methoxypiperidin-1-yl)-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone (CID 11603948) is (4-methoxypiperidin-1-yl)-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone.
What is the SMILES notation for (4-methoxypiperidin-1-yl)-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone?
The canonical SMILES for (4-methoxypiperidin-1-yl)-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone is COC1CCN(C(=O)c2ccc3cc(OCCCN4CCCCC4)ccc3c2)CC1.
What is the InChIKey of (4-methoxypiperidin-1-yl)-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone?
The InChIKey is IBRXYIGWGRVCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-29-23-10-15-27(16-11-23)25(28)22-7-6-21-19-24(9-8-20(21)18-22)30-17-5-14-26-12-3-2-4-13-26/h6-9,18-19,23H,2-5,10-17H2,1H3.
What are the key properties of (4-methoxypiperidin-1-yl)-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone?
(4-methoxypiperidin-1-yl)-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone has a molecular weight of 410.56 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxypiperidin-1-yl)-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone is sourced from PubChem (CID 11603948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).