1-(8-chlorocinnolin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide

C17H21ClN4O2 — CID 22334768

IUPAC1-(8-chlorocinnolin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide
SMILESCOCCNC(=O)C1CCCN(c2cnnc3c(Cl)cccc23)C1
InChIInChI=1S/C17H21ClN4O2/c1-24-9-7-19-17(23)12-4-3-8-22(11-12)15-10-20-21-16-13(15)5-2-6-14(16)18/h2,5-6,10,12H,3-4,7-9,11H2,1H3,(H,19,23)
InChIKeyCJUYKXHPXKPJPV-UHFFFAOYSA-N
MW348.83 g/mol
LogP2.26
Rot. Bonds5

About 1-(8-chlorocinnolin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide

1-(8-chlorocinnolin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide (PubChem CID 22334768) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 1-(8-chlorocinnolin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(8-chlorocinnolin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide
PubChem CID22334768
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name1-(8-chlorocinnolin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide
SMILESCOCCNC(=O)C1CCCN(c2cnnc3c(Cl)cccc23)C1
InChIInChI=1S/C17H21ClN4O2/c1-24-9-7-19-17(23)12-4-3-8-22(11-12)15-10-20-21-16-13(15)5-2-6-14(16)18/h2,5-6,10,12H,3-4,7-9,11H2,1H3,(H,19,23)
InChIKeyCJUYKXHPXKPJPV-UHFFFAOYSA-N
XLogP2.26
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 1-(8-chlorocinnolin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(8-chlorocinnolin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide (CID 22334768) is 1-(8-chlorocinnolin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(8-chlorocinnolin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(8-chlorocinnolin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide is COCCNC(=O)C1CCCN(c2cnnc3c(Cl)cccc23)C1.
What is the InChIKey of 1-(8-chlorocinnolin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide?
The InChIKey is CJUYKXHPXKPJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-24-9-7-19-17(23)12-4-3-8-22(11-12)15-10-20-21-16-13(15)5-2-6-14(16)18/h2,5-6,10,12H,3-4,7-9,11H2,1H3,(H,19,23).
What are the key properties of 1-(8-chlorocinnolin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide?
1-(8-chlorocinnolin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide has a molecular weight of 348.83 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-chlorocinnolin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide is sourced from PubChem (CID 22334768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).