(4-methylpiperidin-1-yl)-[6-(3-morpholin-4-ylpropoxy)naphthalen-2-yl]methanone

C24H32N2O3 — CID 45273769

IUPAC(4-methylpiperidin-1-yl)-[6-(3-morpholin-4-ylpropoxy)naphthalen-2-yl]methanone
SMILESCC1CCN(C(=O)c2ccc3cc(OCCCN4CCOCC4)ccc3c2)CC1
InChIInChI=1S/C24H32N2O3/c1-19-7-10-26(11-8-19)24(27)22-4-3-21-18-23(6-5-20(21)17-22)29-14-2-9-25-12-15-28-16-13-25/h3-6,17-19H,2,7-16H2,1H3
InChIKeyQKQFYFCWDPDFBX-UHFFFAOYSA-N
MW396.53 g/mol
LogP3.81
Rot. Bonds6

About (4-methylpiperidin-1-yl)-[6-(3-morpholin-4-ylpropoxy)naphthalen-2-yl]methanone

(4-methylpiperidin-1-yl)-[6-(3-morpholin-4-ylpropoxy)naphthalen-2-yl]methanone (PubChem CID 45273769) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[6-(3-morpholin-4-ylpropoxy)naphthalen-2-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[6-(3-morpholin-4-ylpropoxy)naphthalen-2-yl]methanone
PubChem CID45273769
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name(4-methylpiperidin-1-yl)-[6-(3-morpholin-4-ylpropoxy)naphthalen-2-yl]methanone
SMILESCC1CCN(C(=O)c2ccc3cc(OCCCN4CCOCC4)ccc3c2)CC1
InChIInChI=1S/C24H32N2O3/c1-19-7-10-26(11-8-19)24(27)22-4-3-21-18-23(6-5-20(21)17-22)29-14-2-9-25-12-15-28-16-13-25/h3-6,17-19H,2,7-16H2,1H3
InChIKeyQKQFYFCWDPDFBX-UHFFFAOYSA-N
XLogP3.81
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-methylpiperidin-1-yl)-[6-(3-morpholin-4-ylpropoxy)naphthalen-2-yl]methanone 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 (4-methylpiperidin-1-yl)-[6-(3-morpholin-4-ylpropoxy)naphthalen-2-yl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[6-(3-morpholin-4-ylpropoxy)naphthalen-2-yl]methanone (CID 45273769) is (4-methylpiperidin-1-yl)-[6-(3-morpholin-4-ylpropoxy)naphthalen-2-yl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[6-(3-morpholin-4-ylpropoxy)naphthalen-2-yl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[6-(3-morpholin-4-ylpropoxy)naphthalen-2-yl]methanone is CC1CCN(C(=O)c2ccc3cc(OCCCN4CCOCC4)ccc3c2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[6-(3-morpholin-4-ylpropoxy)naphthalen-2-yl]methanone?
The InChIKey is QKQFYFCWDPDFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-19-7-10-26(11-8-19)24(27)22-4-3-21-18-23(6-5-20(21)17-22)29-14-2-9-25-12-15-28-16-13-25/h3-6,17-19H,2,7-16H2,1H3.
What are the key properties of (4-methylpiperidin-1-yl)-[6-(3-morpholin-4-ylpropoxy)naphthalen-2-yl]methanone?
(4-methylpiperidin-1-yl)-[6-(3-morpholin-4-ylpropoxy)naphthalen-2-yl]methanone has a molecular weight of 396.53 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[6-(3-morpholin-4-ylpropoxy)naphthalen-2-yl]methanone is sourced from PubChem (CID 45273769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).