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

C24H33N5O4 — CID 6622429

IUPACN-[2-(2,4-dimethoxyphenyl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CCN(c3ccc(N4CCOCC4)nn3)CC2)c(OC)c1
InChIInChI=1S/C24H33N5O4/c1-31-20-4-3-18(21(17-20)32-2)7-10-25-24(30)19-8-11-28(12-9-19)22-5-6-23(27-26-22)29-13-15-33-16-14-29/h3-6,17,19H,7-16H2,1-2H3,(H,25,30)
InChIKeyFRPLMVQTEVXJCG-UHFFFAOYSA-N
MW455.56 g/mol
LogP1.91
Rot. Bonds8

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

N-[2-(2,4-dimethoxyphenyl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 6622429) has the molecular formula C24H33N5O4 and a molecular weight of 455.56 g/mol. Its IUPAC name is N-[2-(2,4-dimethoxyphenyl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethoxyphenyl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
PubChem CID6622429
Molecular FormulaC24H33N5O4
Molecular Weight455.56 g/mol
Exact Mass455.25
IUPAC NameN-[2-(2,4-dimethoxyphenyl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CCN(c3ccc(N4CCOCC4)nn3)CC2)c(OC)c1
InChIInChI=1S/C24H33N5O4/c1-31-20-4-3-18(21(17-20)32-2)7-10-25-24(30)19-8-11-28(12-9-19)22-5-6-23(27-26-22)29-13-15-33-16-14-29/h3-6,17,19H,7-16H2,1-2H3,(H,25,30)
InChIKeyFRPLMVQTEVXJCG-UHFFFAOYSA-N
XLogP1.91
TPSA89.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(3,4-diethoxyphenyl)ethyl]-1-[6-(4-morpholinyl)-3-pyridazinyl]-4-piperidinecarboxamide
CID 3245876
(3,5-Dimethoxyphenyl)(4-(6-morpholinopyridazin-3-yl)piperazin-1-yl)methanone
CID 7292479
2,6-dimethoxy-N-(3-(6-morpholinopyridazin-3-yl)phenyl)benzamide
CID 7593191
N-[(2,4-Dimethoxyphenyl)methyl]-3-{3,5-dimethyl-1-[6-(morpholin-4-YL)pyridazin-3-YL]-1H-pyrazol-4-YL}propanamide
CID 16027082
1-[4-(6-Morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 5308484
(1-(6-(4-Methoxyphenyl)pyridazin-3-yl)piperidin-4-yl)(morpholino)methanone
CID 30361121
N-(3,5-dimethoxyphenyl)-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30866732
N-(3-methoxybenzyl)-1-(6-(4-methoxyphenyl)pyridazin-3-yl)piperidine-4-carboxamide
CID 30866735
N-(2,4-dimethoxyphenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30866851
4-{1-[6-(4-Methoxyphenyl)pyridazin-3-yl]piperidine-3-carbonyl}morpholine
CID 44059752
N-[(3,4-Dimethoxyphenyl)methyl]-1-[6-(piperidin-1-YL)pyridazin-3-YL]piperidine-4-carboxamide
CID 50771211
N-[(2,4-Dimethoxyphenyl)methyl]-1-[6-(piperidin-1-YL)pyridazin-3-YL]piperidine-4-carboxamide
CID 50771237

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethoxyphenyl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(2,4-dimethoxyphenyl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide (CID 6622429) is N-[2-(2,4-dimethoxyphenyl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2,4-dimethoxyphenyl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(2,4-dimethoxyphenyl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide is COc1ccc(CCNC(=O)C2CCN(c3ccc(N4CCOCC4)nn3)CC2)c(OC)c1.
What is the InChIKey of N-[2-(2,4-dimethoxyphenyl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is FRPLMVQTEVXJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O4/c1-31-20-4-3-18(21(17-20)32-2)7-10-25-24(30)19-8-11-28(12-9-19)22-5-6-23(27-26-22)29-13-15-33-16-14-29/h3-6,17,19H,7-16H2,1-2H3,(H,25,30).
What are the key properties of N-[2-(2,4-dimethoxyphenyl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide?
N-[2-(2,4-dimethoxyphenyl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 455.56 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethoxyphenyl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 6622429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).