N-(2,5-difluorophenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-4-carboxamide

C21H20F2N4O2 — CID 46367933

IUPACN-(2,5-difluorophenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-4-carboxamide
SMILESCOc1nc2ccccc2nc1N1CCC(C(=O)Nc2cc(F)ccc2F)CC1
InChIInChI=1S/C21H20F2N4O2/c1-29-21-19(24-16-4-2-3-5-17(16)26-21)27-10-8-13(9-11-27)20(28)25-18-12-14(22)6-7-15(18)23/h2-7,12-13H,8-11H2,1H3,(H,25,28)
InChIKeyXPQYUSMBBDXWII-UHFFFAOYSA-N
MW398.41 g/mol
LogP3.77
Rot. Bonds4

About N-(2,5-difluorophenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-4-carboxamide

N-(2,5-difluorophenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-4-carboxamide (PubChem CID 46367933) has the molecular formula C21H20F2N4O2 and a molecular weight of 398.41 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-4-carboxamide
PubChem CID46367933
Molecular FormulaC21H20F2N4O2
Molecular Weight398.41 g/mol
Exact Mass398.16
IUPAC NameN-(2,5-difluorophenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-4-carboxamide
SMILESCOc1nc2ccccc2nc1N1CCC(C(=O)Nc2cc(F)ccc2F)CC1
InChIInChI=1S/C21H20F2N4O2/c1-29-21-19(24-16-4-2-3-5-17(16)26-21)27-10-8-13(9-11-27)20(28)25-18-12-14(22)6-7-15(18)23/h2-7,12-13H,8-11H2,1H3,(H,25,28)
InChIKeyXPQYUSMBBDXWII-UHFFFAOYSA-N
XLogP3.77
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(2,5-difluorophenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 97047699
1-(3-ethoxyquinoxalin-2-yl)-N-(4-fluoro-2-methylphenyl)piperidine-4-carboxamide
CID 46367981
N-(2-fluorophenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-4-carboxamide
CID 46367999
N-(4-chloro-2-methylphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752576
N-(2,5-difluorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 22519639
N-(2,5-difluorophenyl)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide
CID 20887026
1-(1H-benzimidazol-2-yl)-N-(2,4-difluorophenyl)piperidine-4-carboxamide
CID 122176153
(3R)-1-(3-methoxyquinoxalin-2-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 93072981
(3S)-N-(2-ethoxyphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 97047687
1-(3-methoxyquinoxalin-2-yl)-N-phenylpiperidine-3-carboxamide
CID 50752515
N-(2,5-difluorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363998
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 90609784

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2,5-difluorophenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-4-carboxamide (CID 46367933) is N-(2,5-difluorophenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2,5-difluorophenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-4-carboxamide is COc1nc2ccccc2nc1N1CCC(C(=O)Nc2cc(F)ccc2F)CC1.
What is the InChIKey of N-(2,5-difluorophenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-4-carboxamide?
The InChIKey is XPQYUSMBBDXWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O2/c1-29-21-19(24-16-4-2-3-5-17(16)26-21)27-10-8-13(9-11-27)20(28)25-18-12-14(22)6-7-15(18)23/h2-7,12-13H,8-11H2,1H3,(H,25,28).
What are the key properties of N-(2,5-difluorophenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-4-carboxamide?
N-(2,5-difluorophenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-4-carboxamide has a molecular weight of 398.41 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 46367933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).