N-(2,3-dichlorophenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide

C22H22Cl2N4O2 — CID 50752495

IUPACN-(2,3-dichlorophenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide
SMILESCCOc1nc2ccccc2nc1N1CCCC(C(=O)Nc2cccc(Cl)c2Cl)C1
InChIInChI=1S/C22H22Cl2N4O2/c1-2-30-22-20(25-16-9-3-4-10-17(16)27-22)28-12-6-7-14(13-28)21(29)26-18-11-5-8-15(23)19(18)24/h3-5,8-11,14H,2,6-7,12-13H2,1H3,(H,26,29)
InChIKeyLSBDJKJFJGNFFS-UHFFFAOYSA-N
MW445.35 g/mol
LogP5.19
Rot. Bonds5

About N-(2,3-dichlorophenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide

N-(2,3-dichlorophenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide (PubChem CID 50752495) has the molecular formula C22H22Cl2N4O2 and a molecular weight of 445.35 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide
PubChem CID50752495
Molecular FormulaC22H22Cl2N4O2
Molecular Weight445.35 g/mol
Exact Mass444.11
IUPAC NameN-(2,3-dichlorophenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide
SMILESCCOc1nc2ccccc2nc1N1CCCC(C(=O)Nc2cccc(Cl)c2Cl)C1
InChIInChI=1S/C22H22Cl2N4O2/c1-2-30-22-20(25-16-9-3-4-10-17(16)27-22)28-12-6-7-14(13-28)21(29)26-18-11-5-8-15(23)19(18)24/h3-5,8-11,14H,2,6-7,12-13H2,1H3,(H,26,29)
InChIKeyLSBDJKJFJGNFFS-UHFFFAOYSA-N
XLogP5.19
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.35
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-(2-ethoxyphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 97047687
N-(2-ethylphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752918
(3R)-N-(3-chloro-4-methoxyphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 94009742
(3S)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxylic acid
CID 97177724
N-cyclohexyl-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752811
(3S)-1-(3-ethoxyquinoxalin-2-yl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 97047734
(3R)-1-(3-methoxyquinoxalin-2-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 93072981
(3S)-N-[(4-chlorophenyl)methyl]-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 97047786
(3S)-N-(4-chlorophenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 94009829
N-(4-acetamidophenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752841
(3R)-N-(5-chloro-2-methoxyphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 97047797
N-(5-chloro-2-methoxyphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752840

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide (CID 50752495) is N-(2,3-dichlorophenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide is CCOc1nc2ccccc2nc1N1CCCC(C(=O)Nc2cccc(Cl)c2Cl)C1.
What is the InChIKey of N-(2,3-dichlorophenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide?
The InChIKey is LSBDJKJFJGNFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N4O2/c1-2-30-22-20(25-16-9-3-4-10-17(16)27-22)28-12-6-7-14(13-28)21(29)26-18-11-5-8-15(23)19(18)24/h3-5,8-11,14H,2,6-7,12-13H2,1H3,(H,26,29).
What are the key properties of N-(2,3-dichlorophenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide?
N-(2,3-dichlorophenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide has a molecular weight of 445.35 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 50752495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).