(3R)-N-(2,4-dimethoxyphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide

C25H30N4O4 — CID 94009810

IUPAC(3R)-N-(2,4-dimethoxyphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
SMILESCCCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2ccc(OC)cc2OC)C1
InChIInChI=1S/C25H30N4O4/c1-4-14-33-25-23(26-19-9-5-6-10-20(19)28-25)29-13-7-8-17(16-29)24(30)27-21-12-11-18(31-2)15-22(21)32-3/h5-6,9-12,15,17H,4,7-8,13-14,16H2,1-3H3,(H,27,30)/t17-/m1/s1
InChIKeyWGEBVUSBDREZLC-QGZVFWFLSA-N
MW450.54 g/mol
LogP4.29
Rot. Bonds8

About (3R)-N-(2,4-dimethoxyphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide

(3R)-N-(2,4-dimethoxyphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide (PubChem CID 94009810) has the molecular formula C25H30N4O4 and a molecular weight of 450.54 g/mol. Its IUPAC name is (3R)-N-(2,4-dimethoxyphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2,4-dimethoxyphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
PubChem CID94009810
Molecular FormulaC25H30N4O4
Molecular Weight450.54 g/mol
Exact Mass450.23
IUPAC Name(3R)-N-(2,4-dimethoxyphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
SMILESCCCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2ccc(OC)cc2OC)C1
InChIInChI=1S/C25H30N4O4/c1-4-14-33-25-23(26-19-9-5-6-10-20(19)28-25)29-13-7-8-17(16-29)24(30)27-21-12-11-18(31-2)15-22(21)32-3/h5-6,9-12,15,17H,4,7-8,13-14,16H2,1-3H3,(H,27,30)/t17-/m1/s1
InChIKeyWGEBVUSBDREZLC-QGZVFWFLSA-N
XLogP4.29
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3R)-N-(2,4-dimethoxyphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-N-(5-chloro-2-methoxyphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 97047797
N-(5-chloro-2-methoxyphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752840
N-(2-ethylphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752918
N-(4-acetamidophenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752841
(3S)-1-(3-ethoxyquinoxalin-2-yl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 97047734
(3S)-N-(2-ethoxyphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 97047687
N-cyclopentyl-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752908
(3S)-N-(4-chlorophenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 94009829
N-(3-ethylphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752892
(3R)-N-(4-chloro-2-methoxy-5-methylphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 97047690
(3R)-N-(3-chloro-4-methoxyphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 94009742
(3S)-1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 92888922

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2,4-dimethoxyphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(2,4-dimethoxyphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide (CID 94009810) is (3R)-N-(2,4-dimethoxyphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2,4-dimethoxyphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(2,4-dimethoxyphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide is CCCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2ccc(OC)cc2OC)C1.
What is the InChIKey of (3R)-N-(2,4-dimethoxyphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide?
The InChIKey is WGEBVUSBDREZLC-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H30N4O4/c1-4-14-33-25-23(26-19-9-5-6-10-20(19)28-25)29-13-7-8-17(16-29)24(30)27-21-12-11-18(31-2)15-22(21)32-3/h5-6,9-12,15,17H,4,7-8,13-14,16H2,1-3H3,(H,27,30)/t17-/m1/s1.
What are the key properties of (3R)-N-(2,4-dimethoxyphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide?
(3R)-N-(2,4-dimethoxyphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2,4-dimethoxyphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 94009810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).