N-[3-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]propyl]-2-methylpropanamide

C25H37N3O2 — CID 25265214

IUPACN-[3-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]propyl]-2-methylpropanamide
SMILESCCCCc1cc(OC2CCN(CCCNC(=O)C(C)C)CC2)c2ncccc2c1
InChIInChI=1S/C25H37N3O2/c1-4-5-8-20-17-21-9-6-12-26-24(21)23(18-20)30-22-10-15-28(16-11-22)14-7-13-27-25(29)19(2)3/h6,9,12,17-19,22H,4-5,7-8,10-11,13-16H2,1-3H3,(H,27,29)
InChIKeyJLGSKMAKXZDJDF-UHFFFAOYSA-N
MW411.59 g/mol
LogP4.58
Rot. Bonds10

About N-[3-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]propyl]-2-methylpropanamide

N-[3-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]propyl]-2-methylpropanamide (PubChem CID 25265214) has the molecular formula C25H37N3O2 and a molecular weight of 411.59 g/mol. Its IUPAC name is N-[3-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]propyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]propyl]-2-methylpropanamide
PubChem CID25265214
Molecular FormulaC25H37N3O2
Molecular Weight411.59 g/mol
Exact Mass411.29
IUPAC NameN-[3-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]propyl]-2-methylpropanamide
SMILESCCCCc1cc(OC2CCN(CCCNC(=O)C(C)C)CC2)c2ncccc2c1
InChIInChI=1S/C25H37N3O2/c1-4-5-8-20-17-21-9-6-12-26-24(21)23(18-20)30-22-10-15-28(16-11-22)14-7-13-27-25(29)19(2)3/h6,9,12,17-19,22H,4-5,7-8,10-11,13-16H2,1-3H3,(H,27,29)
InChIKeyJLGSKMAKXZDJDF-UHFFFAOYSA-N
XLogP4.58
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.59
LogP ≤ 54.58
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 N-[3-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]propyl]-2-methylpropanamide?
The IUPAC name of N-[3-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]propyl]-2-methylpropanamide (CID 25265214) is N-[3-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]propyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]propyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]propyl]-2-methylpropanamide is CCCCc1cc(OC2CCN(CCCNC(=O)C(C)C)CC2)c2ncccc2c1.
What is the InChIKey of N-[3-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]propyl]-2-methylpropanamide?
The InChIKey is JLGSKMAKXZDJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O2/c1-4-5-8-20-17-21-9-6-12-26-24(21)23(18-20)30-22-10-15-28(16-11-22)14-7-13-27-25(29)19(2)3/h6,9,12,17-19,22H,4-5,7-8,10-11,13-16H2,1-3H3,(H,27,29).
What are the key properties of N-[3-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]propyl]-2-methylpropanamide?
N-[3-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]propyl]-2-methylpropanamide has a molecular weight of 411.59 g/mol, XLogP of 4.58, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]propyl]-2-methylpropanamide is sourced from PubChem (CID 25265214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).