2-(1-heptylpiperidin-4-yl)-N-(6-methoxyquinolin-4-yl)acetamide

C24H35N3O2 — CID 44533313

IUPAC2-(1-heptylpiperidin-4-yl)-N-(6-methoxyquinolin-4-yl)acetamide
SMILESCCCCCCCN1CCC(CC(=O)Nc2ccnc3ccc(OC)cc23)CC1
InChIInChI=1S/C24H35N3O2/c1-3-4-5-6-7-14-27-15-11-19(12-16-27)17-24(28)26-23-10-13-25-22-9-8-20(29-2)18-21(22)23/h8-10,13,18-19H,3-7,11-12,14-17H2,1-2H3,(H,25,26,28)
InChIKeyYXYZAMVHEKACCK-UHFFFAOYSA-N
MW397.56 g/mol
LogP5.25
Rot. Bonds10

About 2-(1-heptylpiperidin-4-yl)-N-(6-methoxyquinolin-4-yl)acetamide

2-(1-heptylpiperidin-4-yl)-N-(6-methoxyquinolin-4-yl)acetamide (PubChem CID 44533313) has the molecular formula C24H35N3O2 and a molecular weight of 397.56 g/mol. Its IUPAC name is 2-(1-heptylpiperidin-4-yl)-N-(6-methoxyquinolin-4-yl)acetamide.

Molecular Properties

Compound Name2-(1-heptylpiperidin-4-yl)-N-(6-methoxyquinolin-4-yl)acetamide
PubChem CID44533313
Molecular FormulaC24H35N3O2
Molecular Weight397.56 g/mol
Exact Mass397.27
IUPAC Name2-(1-heptylpiperidin-4-yl)-N-(6-methoxyquinolin-4-yl)acetamide
SMILESCCCCCCCN1CCC(CC(=O)Nc2ccnc3ccc(OC)cc23)CC1
InChIInChI=1S/C24H35N3O2/c1-3-4-5-6-7-14-27-15-11-19(12-16-27)17-24(28)26-23-10-13-25-22-9-8-20(29-2)18-21(22)23/h8-10,13,18-19H,3-7,11-12,14-17H2,1-2H3,(H,25,26,28)
InChIKeyYXYZAMVHEKACCK-UHFFFAOYSA-N
XLogP5.25
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.56
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-(1-heptylpiperidin-4-yl)-N-(6-methoxyquinolin-4-yl)acetamide?
The IUPAC name of 2-(1-heptylpiperidin-4-yl)-N-(6-methoxyquinolin-4-yl)acetamide (CID 44533313) is 2-(1-heptylpiperidin-4-yl)-N-(6-methoxyquinolin-4-yl)acetamide.
What is the SMILES notation for 2-(1-heptylpiperidin-4-yl)-N-(6-methoxyquinolin-4-yl)acetamide?
The canonical SMILES for 2-(1-heptylpiperidin-4-yl)-N-(6-methoxyquinolin-4-yl)acetamide is CCCCCCCN1CCC(CC(=O)Nc2ccnc3ccc(OC)cc23)CC1.
What is the InChIKey of 2-(1-heptylpiperidin-4-yl)-N-(6-methoxyquinolin-4-yl)acetamide?
The InChIKey is YXYZAMVHEKACCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O2/c1-3-4-5-6-7-14-27-15-11-19(12-16-27)17-24(28)26-23-10-13-25-22-9-8-20(29-2)18-21(22)23/h8-10,13,18-19H,3-7,11-12,14-17H2,1-2H3,(H,25,26,28).
What are the key properties of 2-(1-heptylpiperidin-4-yl)-N-(6-methoxyquinolin-4-yl)acetamide?
2-(1-heptylpiperidin-4-yl)-N-(6-methoxyquinolin-4-yl)acetamide has a molecular weight of 397.56 g/mol, XLogP of 5.25, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-heptylpiperidin-4-yl)-N-(6-methoxyquinolin-4-yl)acetamide is sourced from PubChem (CID 44533313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).