2-(3-hydroxypiperidin-1-yl)-N-(3-imidazol-1-ylpropyl)-3-phenylquinoxaline-6-carboxamide

C26H28N6O2 — CID 118463873

IUPAC2-(3-hydroxypiperidin-1-yl)-N-(3-imidazol-1-ylpropyl)-3-phenylquinoxaline-6-carboxamide
SMILESO=C(NCCCn1ccnc1)c1ccc2nc(N3CCCC(O)C3)c(-c3ccccc3)nc2c1
InChIInChI=1S/C26H28N6O2/c33-21-8-4-14-32(17-21)25-24(19-6-2-1-3-7-19)29-23-16-20(9-10-22(23)30-25)26(34)28-11-5-13-31-15-12-27-18-31/h1-3,6-7,9-10,12,15-16,18,21,33H,4-5,8,11,13-14,17H2,(H,28,34)
InChIKeyFAAVSCKOKKGBJA-UHFFFAOYSA-N
MW456.55 g/mol
LogP3.27
Rot. Bonds7

About 2-(3-hydroxypiperidin-1-yl)-N-(3-imidazol-1-ylpropyl)-3-phenylquinoxaline-6-carboxamide

2-(3-hydroxypiperidin-1-yl)-N-(3-imidazol-1-ylpropyl)-3-phenylquinoxaline-6-carboxamide (PubChem CID 118463873) has the molecular formula C26H28N6O2 and a molecular weight of 456.55 g/mol. Its IUPAC name is 2-(3-hydroxypiperidin-1-yl)-N-(3-imidazol-1-ylpropyl)-3-phenylquinoxaline-6-carboxamide.

Molecular Properties

Compound Name2-(3-hydroxypiperidin-1-yl)-N-(3-imidazol-1-ylpropyl)-3-phenylquinoxaline-6-carboxamide
PubChem CID118463873
Molecular FormulaC26H28N6O2
Molecular Weight456.55 g/mol
Exact Mass456.23
IUPAC Name2-(3-hydroxypiperidin-1-yl)-N-(3-imidazol-1-ylpropyl)-3-phenylquinoxaline-6-carboxamide
SMILESO=C(NCCCn1ccnc1)c1ccc2nc(N3CCCC(O)C3)c(-c3ccccc3)nc2c1
InChIInChI=1S/C26H28N6O2/c33-21-8-4-14-32(17-21)25-24(19-6-2-1-3-7-19)29-23-16-20(9-10-22(23)30-25)26(34)28-11-5-13-31-15-12-27-18-31/h1-3,6-7,9-10,12,15-16,18,21,33H,4-5,8,11,13-14,17H2,(H,28,34)
InChIKeyFAAVSCKOKKGBJA-UHFFFAOYSA-N
XLogP3.27
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(3-hydroxypiperidin-1-yl)-N-(3-imidazol-1-ylpropyl)-3-phenylquinoxaline-6-carboxamide with MolForge

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Related Compounds

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CID 216210
Dabigatran Ethyl Ester
CID 446804
IN-1130
CID 11676119
(2S)-2-[6-[(2,4-diaminopteridin-6-yl)methylamino]-3-oxo-1H-isoindol-2-yl]pentanedioic Acid
CID 11247965
{4-[9-(3-Fluoro-phenyl)-2-trans-(4-hydroxy-cyclohexylamino)-9H-purin-6-ylamino]-phenyl}-piperidin-1-yl-methanone
CID 24762177
N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]pyridine-4-carboxamide
CID 56650031
8-[1-(3,5-difluoroanilino)ethyl]-N-[2-(dimethylamino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxamide
CID 129029978
8-[(1R)-1-(3,5-difluoroanilino)ethyl]-N-[2-(dimethylamino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxamide
CID 129029979
8-[1-(3-fluoroanilino)ethyl]-N-[2-(methylamino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxamide
CID 129030093
N-[2-(dimethylamino)ethyl]-8-[(3-fluoro-2-methylanilino)methyl]-2-morpholin-4-ylquinoxaline-6-carboxamide
CID 129030181
4-[(4-hydroxycyclohexyl)amino]-N-(1-phenylcyclopropyl)imidazo[1,2-a]quinoxaline-8-carboxamide
CID 72164440
N-[1-(4-Fluorophenyl)cyclopropyl]-4-[(Trans-4-Hydroxycyclohexyl)amino]imidazo[1,2-A]quinoxaline-8-Carboxamide
CID 72700745

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypiperidin-1-yl)-N-(3-imidazol-1-ylpropyl)-3-phenylquinoxaline-6-carboxamide?
The IUPAC name of 2-(3-hydroxypiperidin-1-yl)-N-(3-imidazol-1-ylpropyl)-3-phenylquinoxaline-6-carboxamide (CID 118463873) is 2-(3-hydroxypiperidin-1-yl)-N-(3-imidazol-1-ylpropyl)-3-phenylquinoxaline-6-carboxamide.
What is the SMILES notation for 2-(3-hydroxypiperidin-1-yl)-N-(3-imidazol-1-ylpropyl)-3-phenylquinoxaline-6-carboxamide?
The canonical SMILES for 2-(3-hydroxypiperidin-1-yl)-N-(3-imidazol-1-ylpropyl)-3-phenylquinoxaline-6-carboxamide is O=C(NCCCn1ccnc1)c1ccc2nc(N3CCCC(O)C3)c(-c3ccccc3)nc2c1.
What is the InChIKey of 2-(3-hydroxypiperidin-1-yl)-N-(3-imidazol-1-ylpropyl)-3-phenylquinoxaline-6-carboxamide?
The InChIKey is FAAVSCKOKKGBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O2/c33-21-8-4-14-32(17-21)25-24(19-6-2-1-3-7-19)29-23-16-20(9-10-22(23)30-25)26(34)28-11-5-13-31-15-12-27-18-31/h1-3,6-7,9-10,12,15-16,18,21,33H,4-5,8,11,13-14,17H2,(H,28,34).
What are the key properties of 2-(3-hydroxypiperidin-1-yl)-N-(3-imidazol-1-ylpropyl)-3-phenylquinoxaline-6-carboxamide?
2-(3-hydroxypiperidin-1-yl)-N-(3-imidazol-1-ylpropyl)-3-phenylquinoxaline-6-carboxamide has a molecular weight of 456.55 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypiperidin-1-yl)-N-(3-imidazol-1-ylpropyl)-3-phenylquinoxaline-6-carboxamide is sourced from PubChem (CID 118463873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).