N-[2-(3,4-diethoxyphenyl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide

C26H37N5O4 — CID 3245876

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCCOc1ccc(CCNC(=O)C2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1OCC
InChIInChI=1S/C26H37N5O4/c1-3-34-22-6-5-20(19-23(22)35-4-2)9-12-27-26(32)21-10-13-30(14-11-21)24-7-8-25(29-28-24)31-15-17-33-18-16-31/h5-8,19,21H,3-4,9-18H2,1-2H3,(H,27,32)
InChIKeyGHFPSJBDOMRIEH-UHFFFAOYSA-N
MW483.61 g/mol
LogP2.69
Rot. Bonds10

About N-[2-(3,4-diethoxyphenyl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide

N-[2-(3,4-diethoxyphenyl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 3245876) has the molecular formula C26H37N5O4 and a molecular weight of 483.61 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
PubChem CID3245876
Molecular FormulaC26H37N5O4
Molecular Weight483.61 g/mol
Exact Mass483.28
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCCOc1ccc(CCNC(=O)C2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1OCC
InChIInChI=1S/C26H37N5O4/c1-3-34-22-6-5-20(19-23(22)35-4-2)9-12-27-26(32)21-10-13-30(14-11-21)24-7-8-25(29-28-24)31-15-17-33-18-16-31/h5-8,19,21H,3-4,9-18H2,1-2H3,(H,27,32)
InChIKeyGHFPSJBDOMRIEH-UHFFFAOYSA-N
XLogP2.69
TPSA89.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.61
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-(3,4-diethoxyphenyl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide 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 N-[2-(3,4-diethoxyphenyl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide (CID 3245876) is N-[2-(3,4-diethoxyphenyl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide is CCOc1ccc(CCNC(=O)C2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is GHFPSJBDOMRIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5O4/c1-3-34-22-6-5-20(19-23(22)35-4-2)9-12-27-26(32)21-10-13-30(14-11-21)24-7-8-25(29-28-24)31-15-17-33-18-16-31/h5-8,19,21H,3-4,9-18H2,1-2H3,(H,27,32).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 483.61 g/mol, XLogP of 2.69, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 3245876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).