N-[2-(piperidine-1-carbonyl)phenyl]quinoxaline-2-carboxamide

C21H20N4O2 — CID 17420584

IUPACN-[2-(piperidine-1-carbonyl)phenyl]quinoxaline-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)N1CCCCC1)c1cnc2ccccc2n1
InChIInChI=1S/C21H20N4O2/c26-20(19-14-22-17-10-4-5-11-18(17)23-19)24-16-9-3-2-8-15(16)21(27)25-12-6-1-7-13-25/h2-5,8-11,14H,1,6-7,12-13H2,(H,24,26)
InChIKeyREJZSMPGQPETAT-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.51
Rot. Bonds3

About N-[2-(piperidine-1-carbonyl)phenyl]quinoxaline-2-carboxamide

N-[2-(piperidine-1-carbonyl)phenyl]quinoxaline-2-carboxamide (PubChem CID 17420584) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[2-(piperidine-1-carbonyl)phenyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(piperidine-1-carbonyl)phenyl]quinoxaline-2-carboxamide
PubChem CID17420584
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-[2-(piperidine-1-carbonyl)phenyl]quinoxaline-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)N1CCCCC1)c1cnc2ccccc2n1
InChIInChI=1S/C21H20N4O2/c26-20(19-14-22-17-10-4-5-11-18(17)23-19)24-16-9-3-2-8-15(16)21(27)25-12-6-1-7-13-25/h2-5,8-11,14H,1,6-7,12-13H2,(H,24,26)
InChIKeyREJZSMPGQPETAT-UHFFFAOYSA-N
XLogP3.51
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]quinoxaline-2-carboxamide
CID 55676948
1-N,4-N-bis[2-(azepane-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 4938376
N-[2-(azepane-1-carbonyl)phenyl]-2-chlorobenzamide
CID 2985638
3,4,5,6-tetrachloro-N-[2-(piperidine-1-carbonyl)phenyl]pyridine-2-carboxamide
CID 16547444
N-[2-(4-methylpiperazine-1-carbonyl)phenyl]quinoline-2-carboxamide
CID 30336602
4-piperidin-1-yl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 21367427
N-(2-bromophenyl)quinoxaline-2-carboxamide
CID 17429565
N-[2-(azepane-1-carbonyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 50970736
2-(aminomethyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
CID 119684716
4-nitro-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 4932409
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)quinoxaline-2-carboxamide
CID 30460786
4-[(2-chlorophenyl)methoxy]-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 19916445

Frequently Asked Questions

What is the IUPAC name of N-[2-(piperidine-1-carbonyl)phenyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[2-(piperidine-1-carbonyl)phenyl]quinoxaline-2-carboxamide (CID 17420584) is N-[2-(piperidine-1-carbonyl)phenyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[2-(piperidine-1-carbonyl)phenyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[2-(piperidine-1-carbonyl)phenyl]quinoxaline-2-carboxamide is O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cnc2ccccc2n1.
What is the InChIKey of N-[2-(piperidine-1-carbonyl)phenyl]quinoxaline-2-carboxamide?
The InChIKey is REJZSMPGQPETAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c26-20(19-14-22-17-10-4-5-11-18(17)23-19)24-16-9-3-2-8-15(16)21(27)25-12-6-1-7-13-25/h2-5,8-11,14H,1,6-7,12-13H2,(H,24,26).
What are the key properties of N-[2-(piperidine-1-carbonyl)phenyl]quinoxaline-2-carboxamide?
N-[2-(piperidine-1-carbonyl)phenyl]quinoxaline-2-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(piperidine-1-carbonyl)phenyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 17420584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).