N-[2-(4-methylphenoxy)ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide

C20H26N4O2 — CID 121118974

IUPACN-[2-(4-methylphenoxy)ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCc1ccc(OCCNC(=O)C2CCN(c3ccc(C)nn3)CC2)cc1
InChIInChI=1S/C20H26N4O2/c1-15-3-6-18(7-4-15)26-14-11-21-20(25)17-9-12-24(13-10-17)19-8-5-16(2)22-23-19/h3-8,17H,9-14H2,1-2H3,(H,21,25)
InChIKeyNZYACCNRDIELBC-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.51
Rot. Bonds6

About N-[2-(4-methylphenoxy)ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide

N-[2-(4-methylphenoxy)ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 121118974) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[2-(4-methylphenoxy)ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylphenoxy)ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
PubChem CID121118974
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-[2-(4-methylphenoxy)ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCc1ccc(OCCNC(=O)C2CCN(c3ccc(C)nn3)CC2)cc1
InChIInChI=1S/C20H26N4O2/c1-15-3-6-18(7-4-15)26-14-11-21-20(25)17-9-12-24(13-10-17)19-8-5-16(2)22-23-19/h3-8,17H,9-14H2,1-2H3,(H,21,25)
InChIKeyNZYACCNRDIELBC-UHFFFAOYSA-N
XLogP2.51
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(4-methylphenoxy)ethyl]-1-(6-methylpyridazin-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

Related Compounds

N-[2-(4-methylphenoxy)ethyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118608
1-(6-methylpyridazin-3-yl)-N-propylpiperidine-4-carboxamide
CID 121118861
1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-[2-(4-methoxyphenoxy)ethyl]piperidine-4-carboxamide
CID 121072127
N-[2-(4-methylphenoxy)ethyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45021346
1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-[2-(4-methylphenoxy)ethyl]piperidine-3-carboxamide
CID 121071116
1-(6-methylpyridazin-3-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 121119029
1-(6-methylpyridazin-3-yl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 121119048
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121120955
N-[2-(4-tert-butylphenoxy)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38792102
N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118648
N-(2-methoxyethyl)-1-[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 50783079
1-(5-cyano-2-pyridinyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 16597727

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenoxy)ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(4-methylphenoxy)ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide (CID 121118974) is N-[2-(4-methylphenoxy)ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-methylphenoxy)ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-methylphenoxy)ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide is Cc1ccc(OCCNC(=O)C2CCN(c3ccc(C)nn3)CC2)cc1.
What is the InChIKey of N-[2-(4-methylphenoxy)ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is NZYACCNRDIELBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-15-3-6-18(7-4-15)26-14-11-21-20(25)17-9-12-24(13-10-17)19-8-5-16(2)22-23-19/h3-8,17H,9-14H2,1-2H3,(H,21,25).
What are the key properties of N-[2-(4-methylphenoxy)ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide?
N-[2-(4-methylphenoxy)ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenoxy)ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 121118974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).