N-[8-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]octyl]acetamide

C31H41N3O4 — CID 14969555

IUPACN-[8-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]octyl]acetamide
SMILESCC(=O)NCCCCCCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1
InChIInChI=1S/C31H41N3O4/c1-24(35)32-20-8-4-2-3-5-9-23-38-28-15-12-26(13-16-28)31(37)33-21-18-27(19-22-33)34-29-11-7-6-10-25(29)14-17-30(34)36/h6-7,10-13,15-16,27H,2-5,8-9,14,17-23H2,1H3,(H,32,35)
InChIKeyXOEBJJNTRTZFHK-UHFFFAOYSA-N
MW519.69 g/mol
LogP5.13
Rot. Bonds12

About N-[8-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]octyl]acetamide

N-[8-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]octyl]acetamide (PubChem CID 14969555) has the molecular formula C31H41N3O4 and a molecular weight of 519.69 g/mol. Its IUPAC name is N-[8-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]octyl]acetamide.

Molecular Properties

Compound NameN-[8-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]octyl]acetamide
PubChem CID14969555
Molecular FormulaC31H41N3O4
Molecular Weight519.69 g/mol
Exact Mass519.31
IUPAC NameN-[8-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]octyl]acetamide
SMILESCC(=O)NCCCCCCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1
InChIInChI=1S/C31H41N3O4/c1-24(35)32-20-8-4-2-3-5-9-23-38-28-15-12-26(13-16-28)31(37)33-21-18-27(19-22-33)34-29-11-7-6-10-25(29)14-17-30(34)36/h6-7,10-13,15-16,27H,2-5,8-9,14,17-23H2,1H3,(H,32,35)
InChIKeyXOEBJJNTRTZFHK-UHFFFAOYSA-N
XLogP5.13
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.69
LogP ≤ 55.13
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-[8-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]octyl]acetamide?
The IUPAC name of N-[8-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]octyl]acetamide (CID 14969555) is N-[8-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]octyl]acetamide.
What is the SMILES notation for N-[8-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]octyl]acetamide?
The canonical SMILES for N-[8-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]octyl]acetamide is CC(=O)NCCCCCCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1.
What is the InChIKey of N-[8-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]octyl]acetamide?
The InChIKey is XOEBJJNTRTZFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N3O4/c1-24(35)32-20-8-4-2-3-5-9-23-38-28-15-12-26(13-16-28)31(37)33-21-18-27(19-22-33)34-29-11-7-6-10-25(29)14-17-30(34)36/h6-7,10-13,15-16,27H,2-5,8-9,14,17-23H2,1H3,(H,32,35).
What are the key properties of N-[8-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]octyl]acetamide?
N-[8-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]octyl]acetamide has a molecular weight of 519.69 g/mol, XLogP of 5.13, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]octyl]acetamide is sourced from PubChem (CID 14969555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).