3-(3-methoxyphenyl)-2-piperidin-1-yl-N-(3-pyridin-3-ylpropyl)quinoxaline-6-carboxamide

C29H31N5O2 — CID 118463592

IUPAC3-(3-methoxyphenyl)-2-piperidin-1-yl-N-(3-pyridin-3-ylpropyl)quinoxaline-6-carboxamide
SMILESCOc1cccc(-c2nc3cc(C(=O)NCCCc4cccnc4)ccc3nc2N2CCCCC2)c1
InChIInChI=1S/C29H31N5O2/c1-36-24-11-5-10-22(18-24)27-28(34-16-3-2-4-17-34)33-25-13-12-23(19-26(25)32-27)29(35)31-15-7-9-21-8-6-14-30-20-21/h5-6,8,10-14,18-20H,2-4,7,9,15-17H2,1H3,(H,31,35)
InChIKeySOXLMMPXSKPHIV-UHFFFAOYSA-N
MW481.60 g/mol
LogP5.05
Rot. Bonds8

About 3-(3-methoxyphenyl)-2-piperidin-1-yl-N-(3-pyridin-3-ylpropyl)quinoxaline-6-carboxamide

3-(3-methoxyphenyl)-2-piperidin-1-yl-N-(3-pyridin-3-ylpropyl)quinoxaline-6-carboxamide (PubChem CID 118463592) has the molecular formula C29H31N5O2 and a molecular weight of 481.60 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-2-piperidin-1-yl-N-(3-pyridin-3-ylpropyl)quinoxaline-6-carboxamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-2-piperidin-1-yl-N-(3-pyridin-3-ylpropyl)quinoxaline-6-carboxamide
PubChem CID118463592
Molecular FormulaC29H31N5O2
Molecular Weight481.60 g/mol
Exact Mass481.25
IUPAC Name3-(3-methoxyphenyl)-2-piperidin-1-yl-N-(3-pyridin-3-ylpropyl)quinoxaline-6-carboxamide
SMILESCOc1cccc(-c2nc3cc(C(=O)NCCCc4cccnc4)ccc3nc2N2CCCCC2)c1
InChIInChI=1S/C29H31N5O2/c1-36-24-11-5-10-22(18-24)27-28(34-16-3-2-4-17-34)33-25-13-12-23(19-26(25)32-27)29(35)31-15-7-9-21-8-6-14-30-20-21/h5-6,8,10-14,18-20H,2-4,7,9,15-17H2,1H3,(H,31,35)
InChIKeySOXLMMPXSKPHIV-UHFFFAOYSA-N
XLogP5.05
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.60
LogP ≤ 55.05
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 3-(3-methoxyphenyl)-2-piperidin-1-yl-N-(3-pyridin-3-ylpropyl)quinoxaline-6-carboxamide?
The IUPAC name of 3-(3-methoxyphenyl)-2-piperidin-1-yl-N-(3-pyridin-3-ylpropyl)quinoxaline-6-carboxamide (CID 118463592) is 3-(3-methoxyphenyl)-2-piperidin-1-yl-N-(3-pyridin-3-ylpropyl)quinoxaline-6-carboxamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-2-piperidin-1-yl-N-(3-pyridin-3-ylpropyl)quinoxaline-6-carboxamide?
The canonical SMILES for 3-(3-methoxyphenyl)-2-piperidin-1-yl-N-(3-pyridin-3-ylpropyl)quinoxaline-6-carboxamide is COc1cccc(-c2nc3cc(C(=O)NCCCc4cccnc4)ccc3nc2N2CCCCC2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-2-piperidin-1-yl-N-(3-pyridin-3-ylpropyl)quinoxaline-6-carboxamide?
The InChIKey is SOXLMMPXSKPHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O2/c1-36-24-11-5-10-22(18-24)27-28(34-16-3-2-4-17-34)33-25-13-12-23(19-26(25)32-27)29(35)31-15-7-9-21-8-6-14-30-20-21/h5-6,8,10-14,18-20H,2-4,7,9,15-17H2,1H3,(H,31,35).
What are the key properties of 3-(3-methoxyphenyl)-2-piperidin-1-yl-N-(3-pyridin-3-ylpropyl)quinoxaline-6-carboxamide?
3-(3-methoxyphenyl)-2-piperidin-1-yl-N-(3-pyridin-3-ylpropyl)quinoxaline-6-carboxamide has a molecular weight of 481.60 g/mol, XLogP of 5.05, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-2-piperidin-1-yl-N-(3-pyridin-3-ylpropyl)quinoxaline-6-carboxamide is sourced from PubChem (CID 118463592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).