N-(2,4-dichlorophenyl)-1-(1-phenylpyrazole-4-carbonyl)piperidine-2-carboxamide

C22H20Cl2N4O2 — CID 78884267

IUPACN-(2,4-dichlorophenyl)-1-(1-phenylpyrazole-4-carbonyl)piperidine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)C1CCCCN1C(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C22H20Cl2N4O2/c23-16-9-10-19(18(24)12-16)26-21(29)20-8-4-5-11-27(20)22(30)15-13-25-28(14-15)17-6-2-1-3-7-17/h1-3,6-7,9-10,12-14,20H,4-5,8,11H2,(H,26,29)
InChIKeySFRGXEDBSPDJPS-UHFFFAOYSA-N
MW443.33 g/mol
LogP4.81
Rot. Bonds4

About N-(2,4-dichlorophenyl)-1-(1-phenylpyrazole-4-carbonyl)piperidine-2-carboxamide

N-(2,4-dichlorophenyl)-1-(1-phenylpyrazole-4-carbonyl)piperidine-2-carboxamide (PubChem CID 78884267) has the molecular formula C22H20Cl2N4O2 and a molecular weight of 443.33 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-1-(1-phenylpyrazole-4-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-1-(1-phenylpyrazole-4-carbonyl)piperidine-2-carboxamide
PubChem CID78884267
Molecular FormulaC22H20Cl2N4O2
Molecular Weight443.33 g/mol
Exact Mass442.10
IUPAC NameN-(2,4-dichlorophenyl)-1-(1-phenylpyrazole-4-carbonyl)piperidine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)C1CCCCN1C(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C22H20Cl2N4O2/c23-16-9-10-19(18(24)12-16)26-21(29)20-8-4-5-11-27(20)22(30)15-13-25-28(14-15)17-6-2-1-3-7-17/h1-3,6-7,9-10,12-14,20H,4-5,8,11H2,(H,26,29)
InChIKeySFRGXEDBSPDJPS-UHFFFAOYSA-N
XLogP4.81
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.33
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dichlorophenyl)-1-(2-methylpyrazole-3-carbonyl)piperidine-2-carboxamide
CID 126792477
N-(2,4-dichlorophenyl)-1-(2-phenyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxamide
CID 47045151
(2R)-1-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperidine-2-carboxylic acid
CID 86784862
(2S)-1-(3-aminopyrazine-2-carbonyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide
CID 99607470
1-(3-aminopropanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119293641
1-[1-(2-chlorophenyl)pyrazole-4-carbonyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide
CID 86967980
N-(2,4-dichlorophenyl)-1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-2-carboxamide
CID 87017517
1-(5-cyano-6-methylpyridine-2-carbonyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide
CID 78864921
N-(2,4-dichlorophenyl)-1-(4-methylsulfanyl-3-nitrobenzoyl)piperidine-2-carboxamide
CID 112822333
N-(2,4-dichlorophenyl)-1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-2-carboxamide
CID 112830933
1-[(2,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 61183509
N-(2,4-dichlorophenyl)-1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxamide
CID 78864906

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-1-(1-phenylpyrazole-4-carbonyl)piperidine-2-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-1-(1-phenylpyrazole-4-carbonyl)piperidine-2-carboxamide (CID 78884267) is N-(2,4-dichlorophenyl)-1-(1-phenylpyrazole-4-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-1-(1-phenylpyrazole-4-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-1-(1-phenylpyrazole-4-carbonyl)piperidine-2-carboxamide is O=C(Nc1ccc(Cl)cc1Cl)C1CCCCN1C(=O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-(2,4-dichlorophenyl)-1-(1-phenylpyrazole-4-carbonyl)piperidine-2-carboxamide?
The InChIKey is SFRGXEDBSPDJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N4O2/c23-16-9-10-19(18(24)12-16)26-21(29)20-8-4-5-11-27(20)22(30)15-13-25-28(14-15)17-6-2-1-3-7-17/h1-3,6-7,9-10,12-14,20H,4-5,8,11H2,(H,26,29).
What are the key properties of N-(2,4-dichlorophenyl)-1-(1-phenylpyrazole-4-carbonyl)piperidine-2-carboxamide?
N-(2,4-dichlorophenyl)-1-(1-phenylpyrazole-4-carbonyl)piperidine-2-carboxamide has a molecular weight of 443.33 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-1-(1-phenylpyrazole-4-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 78884267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).