1-(3-oxo-4H-quinoxalin-2-yl)-N-(3-phenylpropyl)piperidine-4-carboxamide

C23H26N4O2 — CID 30443801

IUPAC1-(3-oxo-4H-quinoxalin-2-yl)-N-(3-phenylpropyl)piperidine-4-carboxamide
SMILESO=C(NCCCc1ccccc1)C1CCN(c2nc3ccccc3[nH]c2=O)CC1
InChIInChI=1S/C23H26N4O2/c28-22(24-14-6-9-17-7-2-1-3-8-17)18-12-15-27(16-13-18)21-23(29)26-20-11-5-4-10-19(20)25-21/h1-5,7-8,10-11,18H,6,9,12-16H2,(H,24,28)(H,26,29)
InChIKeyZKZHNSSTERKTLX-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.89
Rot. Bonds6

About 1-(3-oxo-4H-quinoxalin-2-yl)-N-(3-phenylpropyl)piperidine-4-carboxamide

1-(3-oxo-4H-quinoxalin-2-yl)-N-(3-phenylpropyl)piperidine-4-carboxamide (PubChem CID 30443801) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-(3-oxo-4H-quinoxalin-2-yl)-N-(3-phenylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-oxo-4H-quinoxalin-2-yl)-N-(3-phenylpropyl)piperidine-4-carboxamide
PubChem CID30443801
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name1-(3-oxo-4H-quinoxalin-2-yl)-N-(3-phenylpropyl)piperidine-4-carboxamide
SMILESO=C(NCCCc1ccccc1)C1CCN(c2nc3ccccc3[nH]c2=O)CC1
InChIInChI=1S/C23H26N4O2/c28-22(24-14-6-9-17-7-2-1-3-8-17)18-12-15-27(16-13-18)21-23(29)26-20-11-5-4-10-19(20)25-21/h1-5,7-8,10-11,18H,6,9,12-16H2,(H,24,28)(H,26,29)
InChIKeyZKZHNSSTERKTLX-UHFFFAOYSA-N
XLogP2.89
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.89
H-Bond Donors ≤ 52
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 1-(3-oxo-4H-quinoxalin-2-yl)-N-(3-phenylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-oxo-4H-quinoxalin-2-yl)-N-(3-phenylpropyl)piperidine-4-carboxamide (CID 30443801) is 1-(3-oxo-4H-quinoxalin-2-yl)-N-(3-phenylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-oxo-4H-quinoxalin-2-yl)-N-(3-phenylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-oxo-4H-quinoxalin-2-yl)-N-(3-phenylpropyl)piperidine-4-carboxamide is O=C(NCCCc1ccccc1)C1CCN(c2nc3ccccc3[nH]c2=O)CC1.
What is the InChIKey of 1-(3-oxo-4H-quinoxalin-2-yl)-N-(3-phenylpropyl)piperidine-4-carboxamide?
The InChIKey is ZKZHNSSTERKTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c28-22(24-14-6-9-17-7-2-1-3-8-17)18-12-15-27(16-13-18)21-23(29)26-20-11-5-4-10-19(20)25-21/h1-5,7-8,10-11,18H,6,9,12-16H2,(H,24,28)(H,26,29).
What are the key properties of 1-(3-oxo-4H-quinoxalin-2-yl)-N-(3-phenylpropyl)piperidine-4-carboxamide?
1-(3-oxo-4H-quinoxalin-2-yl)-N-(3-phenylpropyl)piperidine-4-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-oxo-4H-quinoxalin-2-yl)-N-(3-phenylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 30443801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).