1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide

C29H37N5O2 — CID 53026725

IUPAC1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
SMILESO=C(NCCCN1CCCCC1)C1CCN(c2nc3ccccc3n(Cc3ccccc3)c2=O)CC1
InChIInChI=1S/C29H37N5O2/c35-28(30-16-9-19-32-17-7-2-8-18-32)24-14-20-33(21-15-24)27-29(36)34(22-23-10-3-1-4-11-23)26-13-6-5-12-25(26)31-27/h1,3-6,10-13,24H,2,7-9,14-22H2,(H,30,35)
InChIKeyJSCXJRJPJPPCQP-UHFFFAOYSA-N
MW487.65 g/mol
LogP3.65
Rot. Bonds8

About 1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide

1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide (PubChem CID 53026725) has the molecular formula C29H37N5O2 and a molecular weight of 487.65 g/mol. Its IUPAC name is 1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
PubChem CID53026725
Molecular FormulaC29H37N5O2
Molecular Weight487.65 g/mol
Exact Mass487.29
IUPAC Name1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
SMILESO=C(NCCCN1CCCCC1)C1CCN(c2nc3ccccc3n(Cc3ccccc3)c2=O)CC1
InChIInChI=1S/C29H37N5O2/c35-28(30-16-9-19-32-17-7-2-8-18-32)24-14-20-33(21-15-24)27-29(36)34(22-23-10-3-1-4-11-23)26-13-6-5-12-25(26)31-27/h1,3-6,10-13,24H,2,7-9,14-22H2,(H,30,35)
InChIKeyJSCXJRJPJPPCQP-UHFFFAOYSA-N
XLogP3.65
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.65
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(4-benzyl-3-oxoquinoxalin-2-yl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide (CID 53026725) is 1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide is O=C(NCCCN1CCCCC1)C1CCN(c2nc3ccccc3n(Cc3ccccc3)c2=O)CC1.
What is the InChIKey of 1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide?
The InChIKey is JSCXJRJPJPPCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N5O2/c35-28(30-16-9-19-32-17-7-2-8-18-32)24-14-20-33(21-15-24)27-29(36)34(22-23-10-3-1-4-11-23)26-13-6-5-12-25(26)31-27/h1,3-6,10-13,24H,2,7-9,14-22H2,(H,30,35).
What are the key properties of 1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide?
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide has a molecular weight of 487.65 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 53026725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).