1-(3-methoxyquinoxalin-2-yl)-N-phenylpiperidine-3-carboxamide

C21H22N4O2 — CID 50752515

IUPAC1-(3-methoxyquinoxalin-2-yl)-N-phenylpiperidine-3-carboxamide
SMILESCOc1nc2ccccc2nc1N1CCCC(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C21H22N4O2/c1-27-21-19(23-17-11-5-6-12-18(17)24-21)25-13-7-8-15(14-25)20(26)22-16-9-3-2-4-10-16/h2-6,9-12,15H,7-8,13-14H2,1H3,(H,22,26)
InChIKeyBBSVLQZVISCSMS-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.49
Rot. Bonds4

About 1-(3-methoxyquinoxalin-2-yl)-N-phenylpiperidine-3-carboxamide

1-(3-methoxyquinoxalin-2-yl)-N-phenylpiperidine-3-carboxamide (PubChem CID 50752515) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-(3-methoxyquinoxalin-2-yl)-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-methoxyquinoxalin-2-yl)-N-phenylpiperidine-3-carboxamide
PubChem CID50752515
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name1-(3-methoxyquinoxalin-2-yl)-N-phenylpiperidine-3-carboxamide
SMILESCOc1nc2ccccc2nc1N1CCCC(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C21H22N4O2/c1-27-21-19(23-17-11-5-6-12-18(17)24-21)25-13-7-8-15(14-25)20(26)22-16-9-3-2-4-10-16/h2-6,9-12,15H,7-8,13-14H2,1H3,(H,22,26)
InChIKeyBBSVLQZVISCSMS-UHFFFAOYSA-N
XLogP3.49
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-[4-(4-methoxyphenoxy)phenyl]-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 97047724
N-(4-ethylphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752640
(3R)-N-[4-(2-methoxyphenoxy)phenyl]-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 97047726
(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
(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
N-(4-chloro-2-methylphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752576
N-(4-acetamidophenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752841
(3R)-N-(4-chloro-2-methoxy-5-methylphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 97047690

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyquinoxalin-2-yl)-N-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-(3-methoxyquinoxalin-2-yl)-N-phenylpiperidine-3-carboxamide (CID 50752515) is 1-(3-methoxyquinoxalin-2-yl)-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(3-methoxyquinoxalin-2-yl)-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-(3-methoxyquinoxalin-2-yl)-N-phenylpiperidine-3-carboxamide is COc1nc2ccccc2nc1N1CCCC(C(=O)Nc2ccccc2)C1.
What is the InChIKey of 1-(3-methoxyquinoxalin-2-yl)-N-phenylpiperidine-3-carboxamide?
The InChIKey is BBSVLQZVISCSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-27-21-19(23-17-11-5-6-12-18(17)24-21)25-13-7-8-15(14-25)20(26)22-16-9-3-2-4-10-16/h2-6,9-12,15H,7-8,13-14H2,1H3,(H,22,26).
What are the key properties of 1-(3-methoxyquinoxalin-2-yl)-N-phenylpiperidine-3-carboxamide?
1-(3-methoxyquinoxalin-2-yl)-N-phenylpiperidine-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyquinoxalin-2-yl)-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 50752515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).