4-benzyl-N-(2-quinolin-6-yloxyethyl)piperazine-1-carboxamide

C23H26N4O2 — CID 112975813

IUPAC4-benzyl-N-(2-quinolin-6-yloxyethyl)piperazine-1-carboxamide
SMILESO=C(NCCOc1ccc2ncccc2c1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H26N4O2/c28-23(27-14-12-26(13-15-27)18-19-5-2-1-3-6-19)25-11-16-29-21-8-9-22-20(17-21)7-4-10-24-22/h1-10,17H,11-16,18H2,(H,25,28)
InChIKeyQYGLWLKRGOSJOK-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.14
Rot. Bonds6

About 4-benzyl-N-(2-quinolin-6-yloxyethyl)piperazine-1-carboxamide

4-benzyl-N-(2-quinolin-6-yloxyethyl)piperazine-1-carboxamide (PubChem CID 112975813) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 4-benzyl-N-(2-quinolin-6-yloxyethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(2-quinolin-6-yloxyethyl)piperazine-1-carboxamide
PubChem CID112975813
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name4-benzyl-N-(2-quinolin-6-yloxyethyl)piperazine-1-carboxamide
SMILESO=C(NCCOc1ccc2ncccc2c1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H26N4O2/c28-23(27-14-12-26(13-15-27)18-19-5-2-1-3-6-19)25-11-16-29-21-8-9-22-20(17-21)7-4-10-24-22/h1-10,17H,11-16,18H2,(H,25,28)
InChIKeyQYGLWLKRGOSJOK-UHFFFAOYSA-N
XLogP3.14
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.14
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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Related Compounds

4-phenyl-N-(2-quinolin-6-yloxyethyl)piperazine-1-carboxamide
CID 112975814
4-benzyl-N-(3-phenoxypropyl)piperazine-1-carboxamide
CID 108883110
phenyl-[4-(3-quinolin-6-yloxypropyl)piperazin-1-yl]methanone
CID 45272100
2-methyl-N-(2-quinolin-6-yloxyethyl)propanamide
CID 113102128
4-benzyl-N-[2-(4-chloro-2-methylphenoxy)ethyl]piperazine-1-carboxamide
CID 112976510
N-(2-phenoxyethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 18532694
4-benzyl-N-[2-(2-methylphenoxy)ethyl]-1,4-diazepane-1-carboxamide
CID 55931486
3-[[[4-(quinolin-3-ylmethyl)piperazine-1-carbonyl]amino]methyl]benzoic acid
CID 174534854
1-tert-butyl-3-(2-quinolin-6-yloxyethyl)urea
CID 112975832
ethanol;4-[(4-fluorophenyl)methyl]-N-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]propyl]piperazine-1-carboxamide;dihydrochloride
CID 70093461
4-bromo-N-(2-quinolin-6-yloxyethyl)benzamide
CID 113102147
1-(4-piperidin-1-ylphenyl)-3-(2-quinolin-6-yloxyethyl)urea
CID 112975907

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(2-quinolin-6-yloxyethyl)piperazine-1-carboxamide?
The IUPAC name of 4-benzyl-N-(2-quinolin-6-yloxyethyl)piperazine-1-carboxamide (CID 112975813) is 4-benzyl-N-(2-quinolin-6-yloxyethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-(2-quinolin-6-yloxyethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-(2-quinolin-6-yloxyethyl)piperazine-1-carboxamide is O=C(NCCOc1ccc2ncccc2c1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-N-(2-quinolin-6-yloxyethyl)piperazine-1-carboxamide?
The InChIKey is QYGLWLKRGOSJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c28-23(27-14-12-26(13-15-27)18-19-5-2-1-3-6-19)25-11-16-29-21-8-9-22-20(17-21)7-4-10-24-22/h1-10,17H,11-16,18H2,(H,25,28).
What are the key properties of 4-benzyl-N-(2-quinolin-6-yloxyethyl)piperazine-1-carboxamide?
4-benzyl-N-(2-quinolin-6-yloxyethyl)piperazine-1-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(2-quinolin-6-yloxyethyl)piperazine-1-carboxamide is sourced from PubChem (CID 112975813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).