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

C22H24N4O2 — CID 112975814

IUPAC4-phenyl-N-(2-quinolin-6-yloxyethyl)piperazine-1-carboxamide
SMILESO=C(NCCOc1ccc2ncccc2c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H24N4O2/c27-22(26-14-12-25(13-15-26)19-6-2-1-3-7-19)24-11-16-28-20-8-9-21-18(17-20)5-4-10-23-21/h1-10,17H,11-16H2,(H,24,27)
InChIKeyHMIHIQKTHUVFLY-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.15
Rot. Bonds5

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

4-phenyl-N-(2-quinolin-6-yloxyethyl)piperazine-1-carboxamide (PubChem CID 112975814) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-phenyl-N-(2-quinolin-6-yloxyethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-phenyl-N-(2-quinolin-6-yloxyethyl)piperazine-1-carboxamide
PubChem CID112975814
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name4-phenyl-N-(2-quinolin-6-yloxyethyl)piperazine-1-carboxamide
SMILESO=C(NCCOc1ccc2ncccc2c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H24N4O2/c27-22(26-14-12-25(13-15-26)19-6-2-1-3-7-19)24-11-16-28-20-8-9-21-18(17-20)5-4-10-23-21/h1-10,17H,11-16H2,(H,24,27)
InChIKeyHMIHIQKTHUVFLY-UHFFFAOYSA-N
XLogP3.15
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-phenyl-N-(2-quinolin-6-yloxyethyl)piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-benzyl-N-(2-quinolin-6-yloxyethyl)piperazine-1-carboxamide
CID 112975813
1-(4-piperidin-1-ylphenyl)-3-(2-quinolin-6-yloxyethyl)urea
CID 112975907
N-(2-phenoxyethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 18532694
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-4-phenylpiperazine-1-carboxamide
CID 112977176
2-methyl-N-(2-quinolin-6-yloxyethyl)propanamide
CID 113102128
phenyl-[4-(3-quinolin-6-yloxypropyl)piperazin-1-yl]methanone
CID 45272100
4-pyridin-2-yl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]piperazine-1-carboxamide
CID 112974901
1-tert-butyl-3-(2-quinolin-6-yloxyethyl)urea
CID 112975832
N-[2-(4-ethoxyphenoxy)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 22830514
N-(3-phenoxypropyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108883277
N-(3-methoxypropyl)-4-phenylpiperazine-1-carboxamide
CID 47128071
N-[2-(2,4-difluorophenoxy)ethyl]-4-phenylpiperazine-1-carboxamide
CID 112976157

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(2-quinolin-6-yloxyethyl)piperazine-1-carboxamide?
The IUPAC name of 4-phenyl-N-(2-quinolin-6-yloxyethyl)piperazine-1-carboxamide (CID 112975814) is 4-phenyl-N-(2-quinolin-6-yloxyethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-phenyl-N-(2-quinolin-6-yloxyethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-phenyl-N-(2-quinolin-6-yloxyethyl)piperazine-1-carboxamide is O=C(NCCOc1ccc2ncccc2c1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 4-phenyl-N-(2-quinolin-6-yloxyethyl)piperazine-1-carboxamide?
The InChIKey is HMIHIQKTHUVFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c27-22(26-14-12-25(13-15-26)19-6-2-1-3-7-19)24-11-16-28-20-8-9-21-18(17-20)5-4-10-23-21/h1-10,17H,11-16H2,(H,24,27).
What are the key properties of 4-phenyl-N-(2-quinolin-6-yloxyethyl)piperazine-1-carboxamide?
4-phenyl-N-(2-quinolin-6-yloxyethyl)piperazine-1-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(2-quinolin-6-yloxyethyl)piperazine-1-carboxamide is sourced from PubChem (CID 112975814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).