2,3-dimethyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]quinoxaline-6-carboxamide

C24H26N4O2 — CID 55692999

IUPAC2,3-dimethyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]quinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NCc3cccc(C(=O)N4CCCCC4)c3)cc2nc1C
InChIInChI=1S/C24H26N4O2/c1-16-17(2)27-22-14-19(9-10-21(22)26-16)23(29)25-15-18-7-6-8-20(13-18)24(30)28-11-4-3-5-12-28/h6-10,13-14H,3-5,11-12,15H2,1-2H3,(H,25,29)
InChIKeyIBRKJQVPLBFNSZ-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.80
Rot. Bonds4

About 2,3-dimethyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]quinoxaline-6-carboxamide

2,3-dimethyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]quinoxaline-6-carboxamide (PubChem CID 55692999) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 2,3-dimethyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]quinoxaline-6-carboxamide
PubChem CID55692999
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name2,3-dimethyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]quinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NCc3cccc(C(=O)N4CCCCC4)c3)cc2nc1C
InChIInChI=1S/C24H26N4O2/c1-16-17(2)27-22-14-19(9-10-21(22)26-16)23(29)25-15-18-7-6-8-20(13-18)24(30)28-11-4-3-5-12-28/h6-10,13-14H,3-5,11-12,15H2,1-2H3,(H,25,29)
InChIKeyIBRKJQVPLBFNSZ-UHFFFAOYSA-N
XLogP3.80
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46466970
azocan-1-yl-(2,3-dimethylquinoxalin-6-yl)methanone
CID 47009187
3,4-diethoxy-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46467040
4-propan-2-ylsulfanyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 47057188
N-[(4-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide
CID 109051992
4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]benzamide
CID 55693300
N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 166182410
N-ethyl-4-[[3-(pyrrolidine-1-carbonyl)phenyl]methylcarbamoylamino]benzamide
CID 55804667
2-(4-ethylphenyl)-4-methyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 46467041
2-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 51255754
1-benzyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]thiourea
CID 43075884
1-methyl-6-oxo-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridazine-3-carboxamide
CID 55722187

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]quinoxaline-6-carboxamide?
The IUPAC name of 2,3-dimethyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]quinoxaline-6-carboxamide (CID 55692999) is 2,3-dimethyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]quinoxaline-6-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]quinoxaline-6-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]quinoxaline-6-carboxamide is Cc1nc2ccc(C(=O)NCc3cccc(C(=O)N4CCCCC4)c3)cc2nc1C.
What is the InChIKey of 2,3-dimethyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]quinoxaline-6-carboxamide?
The InChIKey is IBRKJQVPLBFNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-16-17(2)27-22-14-19(9-10-21(22)26-16)23(29)25-15-18-7-6-8-20(13-18)24(30)28-11-4-3-5-12-28/h6-10,13-14H,3-5,11-12,15H2,1-2H3,(H,25,29).
What are the key properties of 2,3-dimethyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]quinoxaline-6-carboxamide?
2,3-dimethyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]quinoxaline-6-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 55692999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).