N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]-4-phenoxybutanamide

C26H30N4O3 — CID 108553625

IUPACN-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]-4-phenoxybutanamide
SMILESCc1nc2ccc(C(=O)N3CCC(NC(=O)CCCOc4ccccc4)CC3)cc2nc1C
InChIInChI=1S/C26H30N4O3/c1-18-19(2)28-24-17-20(10-11-23(24)27-18)26(32)30-14-12-21(13-15-30)29-25(31)9-6-16-33-22-7-4-3-5-8-22/h3-5,7-8,10-11,17,21H,6,9,12-16H2,1-2H3,(H,29,31)
InChIKeyZBJOREGSHOLDQM-UHFFFAOYSA-N
MW446.55 g/mol
LogP3.83
Rot. Bonds7

About N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]-4-phenoxybutanamide

N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]-4-phenoxybutanamide (PubChem CID 108553625) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]-4-phenoxybutanamide
PubChem CID108553625
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC NameN-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]-4-phenoxybutanamide
SMILESCc1nc2ccc(C(=O)N3CCC(NC(=O)CCCOc4ccccc4)CC3)cc2nc1C
InChIInChI=1S/C26H30N4O3/c1-18-19(2)28-24-17-20(10-11-23(24)27-18)26(32)30-14-12-21(13-15-30)29-25(31)9-6-16-33-22-7-4-3-5-8-22/h3-5,7-8,10-11,17,21H,6,9,12-16H2,1-2H3,(H,29,31)
InChIKeyZBJOREGSHOLDQM-UHFFFAOYSA-N
XLogP3.83
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]-4-phenoxybutanamide 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

3-chloro-N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]propanamide
CID 108565725
1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 108536488
4-phenoxy-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]butanamide
CID 108553607
(2,3-dimethylquinoxalin-6-yl)-[4-(sulfanylamino)piperidin-1-yl]methanone
CID 163968262
N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-3-phenoxypropanamide
CID 108554961
prop-2-enyl 4-(4-phenoxybutanoylamino)piperidine-1-carboxylate
CID 108561202
ethyl 4-(3-phenoxypropanoylamino)piperidine-1-carboxylate
CID 31542229
4-(4-methylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
CID 108553445
[3-[4-[4-(2,6-dimethylphenoxy)butanoylamino]piperidine-1-carbonyl]phenyl] acetate
CID 108927434
N-[1-(3-methoxypropanoyl)piperidin-4-yl]-4-phenoxybutanamide
CID 108553641
N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-4-(2,6-dimethylphenoxy)butanamide
CID 108553531
N-[1-(3-hydroxybenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide
CID 108553786

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]-4-phenoxybutanamide?
The IUPAC name of N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]-4-phenoxybutanamide (CID 108553625) is N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]-4-phenoxybutanamide.
What is the SMILES notation for N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]-4-phenoxybutanamide?
The canonical SMILES for N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]-4-phenoxybutanamide is Cc1nc2ccc(C(=O)N3CCC(NC(=O)CCCOc4ccccc4)CC3)cc2nc1C.
What is the InChIKey of N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]-4-phenoxybutanamide?
The InChIKey is ZBJOREGSHOLDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-18-19(2)28-24-17-20(10-11-23(24)27-18)26(32)30-14-12-21(13-15-30)29-25(31)9-6-16-33-22-7-4-3-5-8-22/h3-5,7-8,10-11,17,21H,6,9,12-16H2,1-2H3,(H,29,31).
What are the key properties of N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]-4-phenoxybutanamide?
N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]-4-phenoxybutanamide has a molecular weight of 446.55 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]-4-phenoxybutanamide is sourced from PubChem (CID 108553625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).