N-(3,4-dichlorophenyl)-1-[2-(4-oxocinnolin-1-yl)acetyl]piperidine-2-carboxamide

C22H20Cl2N4O3 — CID 55669948

IUPACN-(3,4-dichlorophenyl)-1-[2-(4-oxocinnolin-1-yl)acetyl]piperidine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)C1CCCCN1C(=O)Cn1ncc(=O)c2ccccc21
InChIInChI=1S/C22H20Cl2N4O3/c23-16-9-8-14(11-17(16)24)26-22(31)19-7-3-4-10-27(19)21(30)13-28-18-6-2-1-5-15(18)20(29)12-25-28/h1-2,5-6,8-9,11-12,19H,3-4,7,10,13H2,(H,26,31)
InChIKeyGROLLWGPJBKSDH-UHFFFAOYSA-N
MW459.33 g/mol
LogP3.72
Rot. Bonds4

About N-(3,4-dichlorophenyl)-1-[2-(4-oxocinnolin-1-yl)acetyl]piperidine-2-carboxamide

N-(3,4-dichlorophenyl)-1-[2-(4-oxocinnolin-1-yl)acetyl]piperidine-2-carboxamide (PubChem CID 55669948) has the molecular formula C22H20Cl2N4O3 and a molecular weight of 459.33 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-1-[2-(4-oxocinnolin-1-yl)acetyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-1-[2-(4-oxocinnolin-1-yl)acetyl]piperidine-2-carboxamide
PubChem CID55669948
Molecular FormulaC22H20Cl2N4O3
Molecular Weight459.33 g/mol
Exact Mass458.09
IUPAC NameN-(3,4-dichlorophenyl)-1-[2-(4-oxocinnolin-1-yl)acetyl]piperidine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)C1CCCCN1C(=O)Cn1ncc(=O)c2ccccc21
InChIInChI=1S/C22H20Cl2N4O3/c23-16-9-8-14(11-17(16)24)26-22(31)19-7-3-4-10-27(19)21(30)13-28-18-6-2-1-5-15(18)20(29)12-25-28/h1-2,5-6,8-9,11-12,19H,3-4,7,10,13H2,(H,26,31)
InChIKeyGROLLWGPJBKSDH-UHFFFAOYSA-N
XLogP3.72
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.33
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]cinnolin-4-one
CID 87028056
N-(3,5-dichlorophenyl)-1-[2-(1-oxophthalazin-2-yl)acetyl]pyrrolidine-2-carboxamide
CID 55614167
N-(3,4-dichlorophenyl)-1-(2-methylsulfanylpropanoyl)piperidine-2-carboxamide
CID 55690843
2-[2-[(3,4-dichlorophenyl)carbamoyl]piperidin-1-yl]acetic acid
CID 119955395
N-(3,4-dichlorophenyl)-1-(1-pyrimidin-2-ylpiperidine-4-carbonyl)piperidine-2-carboxamide
CID 55760332
methyl 2-chloro-5-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzoate
CID 134003459
1-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]cinnolin-4-one
CID 17495969
1-[2-[(2S)-2-[(3-chloro-2-fluorophenyl)carbamoyl]azepan-1-yl]-2-oxoethyl]indazole-3-carboxamide
CID 129217031
N-(3,4-dichlorophenyl)-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-2-carboxamide
CID 55669946
N-(3,4-dichlorophenyl)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-2-carboxamide
CID 55603823
1-[2-(carbamoylamino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-2-carboxamide
CID 43074677
N-[4-(azocan-1-yl)-3-fluorophenyl]-2-(4-oxocinnolin-1-yl)acetamide
CID 75453687

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-1-[2-(4-oxocinnolin-1-yl)acetyl]piperidine-2-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-1-[2-(4-oxocinnolin-1-yl)acetyl]piperidine-2-carboxamide (CID 55669948) is N-(3,4-dichlorophenyl)-1-[2-(4-oxocinnolin-1-yl)acetyl]piperidine-2-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-1-[2-(4-oxocinnolin-1-yl)acetyl]piperidine-2-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-1-[2-(4-oxocinnolin-1-yl)acetyl]piperidine-2-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)C1CCCCN1C(=O)Cn1ncc(=O)c2ccccc21.
What is the InChIKey of N-(3,4-dichlorophenyl)-1-[2-(4-oxocinnolin-1-yl)acetyl]piperidine-2-carboxamide?
The InChIKey is GROLLWGPJBKSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N4O3/c23-16-9-8-14(11-17(16)24)26-22(31)19-7-3-4-10-27(19)21(30)13-28-18-6-2-1-5-15(18)20(29)12-25-28/h1-2,5-6,8-9,11-12,19H,3-4,7,10,13H2,(H,26,31).
What are the key properties of N-(3,4-dichlorophenyl)-1-[2-(4-oxocinnolin-1-yl)acetyl]piperidine-2-carboxamide?
N-(3,4-dichlorophenyl)-1-[2-(4-oxocinnolin-1-yl)acetyl]piperidine-2-carboxamide has a molecular weight of 459.33 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-1-[2-(4-oxocinnolin-1-yl)acetyl]piperidine-2-carboxamide is sourced from PubChem (CID 55669948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).