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

C21H20F2N4O2 — CID 97047699

IUPAC(3R)-N-(2,5-difluorophenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
SMILESCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2cc(F)ccc2F)C1
InChIInChI=1S/C21H20F2N4O2/c1-29-21-19(24-16-6-2-3-7-17(16)26-21)27-10-4-5-13(12-27)20(28)25-18-11-14(22)8-9-15(18)23/h2-3,6-9,11,13H,4-5,10,12H2,1H3,(H,25,28)/t13-/m1/s1
InChIKeyGTGRXVVHUXFTNK-CYBMUJFWSA-N
MW398.41 g/mol
LogP3.77
Rot. Bonds4

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

(3R)-N-(2,5-difluorophenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide (PubChem CID 97047699) has the molecular formula C21H20F2N4O2 and a molecular weight of 398.41 g/mol. Its IUPAC name is (3R)-N-(2,5-difluorophenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2,5-difluorophenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
PubChem CID97047699
Molecular FormulaC21H20F2N4O2
Molecular Weight398.41 g/mol
Exact Mass398.16
IUPAC Name(3R)-N-(2,5-difluorophenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
SMILESCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2cc(F)ccc2F)C1
InChIInChI=1S/C21H20F2N4O2/c1-29-21-19(24-16-6-2-3-7-17(16)26-21)27-10-4-5-13(12-27)20(28)25-18-11-14(22)8-9-15(18)23/h2-3,6-9,11,13H,4-5,10,12H2,1H3,(H,25,28)/t13-/m1/s1
InChIKeyGTGRXVVHUXFTNK-CYBMUJFWSA-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

N-(2,5-difluorophenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-4-carboxamide
CID 46367933
N-(4-chloro-2-methylphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752576
1-(3-methoxyquinoxalin-2-yl)-N-phenylpiperidine-3-carboxamide
CID 50752515
(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
N-(2,3-dimethylphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752620
(3R)-N-(4-bromo-2,3-dimethylphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 95116089
(3R)-N-(4-chloro-2-methoxy-5-methylphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 97047690
N-(4-ethylphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752640
(3R)-N-[4-(4-methoxyphenoxy)phenyl]-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 97047724
N-cyclohexyl-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752597
(3R)-N-[4-(2-methoxyphenoxy)phenyl]-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 97047726

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2,5-difluorophenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(2,5-difluorophenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide (CID 97047699) is (3R)-N-(2,5-difluorophenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2,5-difluorophenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(2,5-difluorophenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide is COc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2cc(F)ccc2F)C1.
What is the InChIKey of (3R)-N-(2,5-difluorophenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide?
The InChIKey is GTGRXVVHUXFTNK-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H20F2N4O2/c1-29-21-19(24-16-6-2-3-7-17(16)26-21)27-10-4-5-13(12-27)20(28)25-18-11-14(22)8-9-15(18)23/h2-3,6-9,11,13H,4-5,10,12H2,1H3,(H,25,28)/t13-/m1/s1.
What are the key properties of (3R)-N-(2,5-difluorophenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide?
(3R)-N-(2,5-difluorophenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-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 (3R)-N-(2,5-difluorophenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 97047699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).