N-(2-methoxyethyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide

C14H22N4O3 — CID 53203959

IUPACN-(2-methoxyethyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
SMILESCOCCNC(=O)C1CCCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C14H22N4O3/c1-17-13(19)8-12(9-16-17)18-6-3-4-11(10-18)14(20)15-5-7-21-2/h8-9,11H,3-7,10H2,1-2H3,(H,15,20)
InChIKeySBXXZLUWJNZQBQ-UHFFFAOYSA-N
MW294.36 g/mol
LogP-0.24
Rot. Bonds5

About N-(2-methoxyethyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide

N-(2-methoxyethyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide (PubChem CID 53203959) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
PubChem CID53203959
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC NameN-(2-methoxyethyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
SMILESCOCCNC(=O)C1CCCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C14H22N4O3/c1-17-13(19)8-12(9-16-17)18-6-3-4-11(10-18)14(20)15-5-7-21-2/h8-9,11H,3-7,10H2,1-2H3,(H,15,20)
InChIKeySBXXZLUWJNZQBQ-UHFFFAOYSA-N
XLogP-0.24
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 N-(2-methoxyethyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide (CID 53203959) is N-(2-methoxyethyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide is COCCNC(=O)C1CCCN(c2cnn(C)c(=O)c2)C1.
What is the InChIKey of N-(2-methoxyethyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide?
The InChIKey is SBXXZLUWJNZQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-17-13(19)8-12(9-16-17)18-6-3-4-11(10-18)14(20)15-5-7-21-2/h8-9,11H,3-7,10H2,1-2H3,(H,15,20).
What are the key properties of N-(2-methoxyethyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide?
N-(2-methoxyethyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide has a molecular weight of 294.36 g/mol, XLogP of -0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 53203959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).