(3R)-N-[4-(4-methoxyphenoxy)phenyl]-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide

C28H28N4O4 — CID 97047724

IUPAC(3R)-N-[4-(4-methoxyphenoxy)phenyl]-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
SMILESCOc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCN(c4nc5ccccc5nc4OC)C3)cc2)cc1
InChIInChI=1S/C28H28N4O4/c1-34-21-13-15-23(16-14-21)36-22-11-9-20(10-12-22)29-27(33)19-6-5-17-32(18-19)26-28(35-2)31-25-8-4-3-7-24(25)30-26/h3-4,7-16,19H,5-6,17-18H2,1-2H3,(H,29,33)/t19-/m1/s1
InChIKeyIHTHGUNCBWMCDV-LJQANCHMSA-N
MW484.56 g/mol
LogP5.29
Rot. Bonds7

About (3R)-N-[4-(4-methoxyphenoxy)phenyl]-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide

(3R)-N-[4-(4-methoxyphenoxy)phenyl]-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide (PubChem CID 97047724) has the molecular formula C28H28N4O4 and a molecular weight of 484.56 g/mol. Its IUPAC name is (3R)-N-[4-(4-methoxyphenoxy)phenyl]-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[4-(4-methoxyphenoxy)phenyl]-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
PubChem CID97047724
Molecular FormulaC28H28N4O4
Molecular Weight484.56 g/mol
Exact Mass484.21
IUPAC Name(3R)-N-[4-(4-methoxyphenoxy)phenyl]-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
SMILESCOc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCN(c4nc5ccccc5nc4OC)C3)cc2)cc1
InChIInChI=1S/C28H28N4O4/c1-34-21-13-15-23(16-14-21)36-22-11-9-20(10-12-22)29-27(33)19-6-5-17-32(18-19)26-28(35-2)31-25-8-4-3-7-24(25)30-26/h3-4,7-16,19H,5-6,17-18H2,1-2H3,(H,29,33)/t19-/m1/s1
InChIKeyIHTHGUNCBWMCDV-LJQANCHMSA-N
XLogP5.29
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.56
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3R)-N-[4-(4-methoxyphenoxy)phenyl]-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-N-[4-(2-methoxyphenoxy)phenyl]-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 97047726
1-(3-methoxyquinoxalin-2-yl)-N-phenylpiperidine-3-carboxamide
CID 50752515
N-(4-ethylphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752640
(3R)-1-(3-methoxyquinoxalin-2-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 93072981
N-cyclohexyl-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752597
N-(2,3-dimethylphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752620
N-(4-acetamidophenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752841
(3R)-N-(4-bromo-2,3-dimethylphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 95116089
(3S)-N-(2-ethoxyphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 97047687
(3R)-N-(2,5-difluorophenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 97047699
(3S)-N-(4-chlorophenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 94009829
N-(4-chloro-2-methylphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752576

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[4-(4-methoxyphenoxy)phenyl]-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[4-(4-methoxyphenoxy)phenyl]-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide (CID 97047724) is (3R)-N-[4-(4-methoxyphenoxy)phenyl]-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[4-(4-methoxyphenoxy)phenyl]-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[4-(4-methoxyphenoxy)phenyl]-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide is COc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCN(c4nc5ccccc5nc4OC)C3)cc2)cc1.
What is the InChIKey of (3R)-N-[4-(4-methoxyphenoxy)phenyl]-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide?
The InChIKey is IHTHGUNCBWMCDV-LJQANCHMSA-N. The full InChI is InChI=1S/C28H28N4O4/c1-34-21-13-15-23(16-14-21)36-22-11-9-20(10-12-22)29-27(33)19-6-5-17-32(18-19)26-28(35-2)31-25-8-4-3-7-24(25)30-26/h3-4,7-16,19H,5-6,17-18H2,1-2H3,(H,29,33)/t19-/m1/s1.
What are the key properties of (3R)-N-[4-(4-methoxyphenoxy)phenyl]-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide?
(3R)-N-[4-(4-methoxyphenoxy)phenyl]-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide has a molecular weight of 484.56 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[4-(4-methoxyphenoxy)phenyl]-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 97047724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).